Alternatives to YASARA

Compare YASARA alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to YASARA in 2024. Compare features, ratings, user reviews, pricing, and more from YASARA competitors and alternatives in order to make an informed decision for your business.

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    SYNTHIA Retrosynthesis Software
    Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules. Quickly and efficiently scan hundreds of pathways to help you identify the best option according to your needs. Explore the most cost-effective routes to your target molecules with state of the art visualization and filtering options. Easily customize search parameters to eliminate or promote reactions, reagents or classes of molecules. Explore unique and innovative syntheses that may be unknown for building your desired molecule. Easily generate a list of commercially available starting materials for your synthesis. Benefit from ISO/IEC 27001 Information Security Certification to guarantee the confidentiality, integrity, and protection of your data.
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    Ascalaph Designer

    Ascalaph Designer

    Agile Molecule

    Ascalaph Designer is a general-purpose program for molecular dynamic simulations. Under a single graphical environment are represented as their own implementation of molecular dynamics as well as the methods of classical and quantum mechanics of popular programs. Molecular geometry optimization with conjugate gradient methods. Shows molecular models in separate windows. Each window has two cameras, which allow the model to be simultaneously visualized from two sides and in different graphic modes. The subwindow can be opened by dragging the splitter in the right corner of each graphical window. Clicking on an atom or bond with the left mouse button slightly changes their color and a brief info about the picked object appears in the status bar. The wire-frame style is convenient for large molecules, particularly, proteins. Drawing is very fast for this style. Finally, CPK wire frame combines the properties of several above styles.
    Starting Price: Free
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    BIOVIA Discovery Studio

    BIOVIA Discovery Studio

    Dassault Systèmes

    Today’s biopharmaceutical industry is marked by complexity: growing market demands for improved specificity and safety, novel treatment classes and more intricate mechanisms of disease. Keeping up with this complexity requires a deeper understanding of therapeutic behavior. Modeling and simulation methods provide a unique means to explore biological and physicochemical processes down to the atomic level. This can guide physical experimentation, accelerating the discovery and development process. BIOVIA Discovery Studio brings together over 30 years of peer-reviewed research and world-class in silico techniques such as molecular mechanics, free energy calculations, biotherapeutics developability and more into a common environment. It provides researchers with a complete toolset to explore the nuances of protein chemistry and catalyze discovery of small and large molecule therapeutics from Target ID to Lead Optimization.
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    ArgusLab

    ArgusLab

    ArgusLab

    ArgusLab is a molecular modeling, graphics, and drug design program for Windows operating systems. It’s getting a little dated by now, but remains surprisingly popular. To date, there are more than 20,000 downloads. ArgusLab is freely licensed. You don’t need to sign anything. You can use as many copies as you need if you are teaching a class where your students might benefit from using ArgusLab. You are not allowed to redistribute ArgusLab from other websites or sources. However, you may link to this website from your own websites if you like. A low-key effort is currently underway to port ArgusLab to the iPad. In addition, I’ve done some work with the Qt cross-platform development environment in an effort to support Mac, PC, and Linux.
    Starting Price: Free
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    HyperProtein

    HyperProtein

    Hypercube

    HyperProtein is Hypercube, Inc.'s new product focusing on the computational science associated with protein sequences. The product includes the analysis of one-dimensional protein sequences as well as the analysis of consequent three-dimensional protein structures. In particular, the relationship between sequence and structure is a fundamental facet of the product. Unlike individual software programs that provide capability for some aspect of protein sequence or structure, such as sequence alignment, HyperProtein puts together a multitude of Bioinformatics and Molecular Modeling tools related to the science that initiates with a protein sequence.
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    Avogadro

    Avogadro

    Avogadro

    Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Avogadro is a free, open-source molecular editor and visualization tool, designed for use on Mac, Windows, and Linux in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.
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    Swiss-PdbViewer

    Swiss-PdbViewer

    Swiss-PdbViewer

    Swiss-PdbViewer (aka DeepView) is an application that provides a user-friendly interface allowing to analysis of several proteins at the same time. The proteins can be superimposed in order to deduce structural alignments and compare their active sites or any other relevant parts. Amino acid mutations, H-bonds, angles, and distances between atoms are easy to obtain thanks to the intuitive graphic and menu interface. Swiss-PdbViewer (aka DeepView) has been developed since 1994 by Nicolas Guex. Swiss-PdbViewer was initially tightly linked to SWISS-MODEL, an automated homology modeling server developed within the Swiss Institute of Bioinformatics (SIB) at the Structural Bioinformatics Group at the Biozentrum in Basel. However, the SWISS-MODEL web interface evolved to a point where it is now possible to use it directly for advanced modeling. Maintaining a direct interface with Swiss-PdbViewer is too complex and no longer supported.
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    BIOVIA

    BIOVIA

    Dassault Systèmes

    BIOVIA solutions create an unmatched scientific management environment that can help science-based organizations create and connect biological, chemical and material innovations to improve the way we live. The industry-leading BIOVIA portfolio is focused on integrating the diversity of science, experimental processes and information requirements end-to-end across research, development, QA/QC and manufacturing. Capabilities over the areas of Scientific Informatics, Molecular Modeling/Simulation, Data Science, Laboratory Informatics, Formulation Design, BioPharma Quality & Compliance and Manufacturing Analytics. BIOVIA is committed to enhancing and speeding innovation, increasing productivity, improving quality and compliance, reducing costs and accelerating product development for customers in multiple industries. Manage and connect scientific innovation processes and information across the product lifecycle.
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    MoluCAD

    MoluCAD

    New River Kinematics

    MoluCAD is a full-featured molecular modeling and visualization tool designed for Windows. It is the result of a three-year National Institutes of Health biomedical technology research project aimed at producing low-cost educational software for chemistry students. The latest version incorporates many advanced features only found in expensive workstation-based modeling packages. Ease of use, premium graphical quality, and computational robustness are the trademarks of MoluCAD. Novice users are able to quickly generate models, view them form any perspective, create reaction animations, and save all data to disk.
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    MolView

    MolView

    MolView

    MolView is an intuitive, Open-Source web application to make science and education more awesome! MolView is mainly intended as a web-based data visualization platform. You can use MolView to search through different scientific databases including compound databases, protein databases and spectral databases, and view records from these databases as interactive visualizations using WebGL and HTML5 technologies. This web application is built on top of the JavaScript libraries and online services listed below. The Virtual Model Kit has been a source of inspiration for the birth of this project.
    Starting Price: Free
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    MolPad

    MolPad

    MolPad

    MolPad integrates an interactive chemistry sketcher into any online learning platform. Build open questions about molecular structure and organic chemistry that go beyond just recognizing the right answer. Discover how MolPad can enrich online chemistry education by providing a low code environment for creating dynamic content and smart assessment. With MolPad, we have developed several solutions for interactive and intuitive drawing of structural formulas, enabling the student to practice with topics like chemical naming, functional groups, and Lewis structures in a digital environment. By providing smart feedback based on specific errors, the student can gain more insight than with multiple choice questions.
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    Schrödinger

    Schrödinger

    Schrödinger

    Transform drug discovery and materials research with advanced molecular modeling. Our physics-based computational platform integrates differentiated solutions for predictive modeling, data analytics, and collaboration to enable rapid exploration of chemical space. Our platform is deployed by industry leaders worldwide for drug discovery, as well as for materials science in fields as diverse as aerospace, energy, semiconductors, and electronics displays. The platform powers our own drug discovery efforts, from target identification to hit discovery to lead optimization. It also drives our research collaborations to develop novel medicines for critical public health needs. With more than 150 Ph.D. scientists on our team, we invest heavily in R&D. We’ve published over 400 peer-reviewed papers that demonstrate the strength of our physics-based approaches, and we’re continually pushing the limits of computer modeling.
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    ChemDoodle

    ChemDoodle

    iChemLabs

    ChemDoodle 2D contains thousands of chemistry features, helping you produce the highest quality graphics and saving you hours of work. We spend a very long time scrutinizing the graphics output in ChemDoodle. The software automatically orients bonds in the correct directions, merges bond strokes together, places attributes in the best locations and automatically makes smart decisions that lead to the most beautiful and appealing images. Of course, you can always override the software to your preference. Every component of the graphic is fully customizable. Whether you are looking to control bond widths, arrowhead sizes or shape transparency and color; you are in control. ChemDoodle’s drawing controls are made to clearly model the atoms and bonds they manage. Copious visual feedback is provided. There are also many options for customizing the drawing tools to your preference, including for accessibility concerns.
    Starting Price: $12.5 per month
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    Chemaxon Design Hub
    A platform that connects scientific rationale, compound design, and computational resources. Chemaxon’s Design Hub for medicinal chemistry from analysis to prioritize ideas. Design Compounds and manage ideas within one platform. A single platform that connects scientific rationale, compound design, and computational resources. Switch from PowerPoint files to graphical and chemically searchable hypotheses that are an integral part of the compound design process. Easily work with your trusted phys-chem properties, computational models, novelty issues, or purchasable compound catalogs in a rich visual environment. Involve your CROs in the compound progression process using this secure online service. Analyze collected evidence from biological assays or experimental structural information, extract SAR, and make new hypotheses for the next optimization iteration. Store your scientific hypotheses in a “designer's ELN” (chemically aware drawing canvases).
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    ChemSketch

    ChemSketch

    ACD/Labs

    Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science.
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    Tox Suite

    Tox Suite

    ACD/Labs

    Calculate drug toxicity and safety endpoints to reduce attrition rates of molecular entities that are unlikely to succeed to nomination as a drug candidate, direct new compound synthesis, and focus animal testing requirements.
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    PyMOL

    PyMOL

    PyMOL

    PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger. PyQt interface replaces Tcl/Tk and MacPyMOL on all platforms. Better third-party plugin and custom scripting support. A comprehensive software package for rendering and animating 3D structures. A plug-in for embedding 3D images and animations into PowerPoint presentations. PyMOL is a commercial product, but we make most of its source code freely available under a permissive license. The open-source project is maintained by Schrödinger and ultimately funded by everyone who purchases a PyMOL license. Open access incentive executables. Liberal evaluation policy. Improved fuse command (disallows hypervalent bonds, substitutes monovalent atoms instead of attaching to them) Properties inspector now supports unsetting settings with the “delete” key. Fix workspace disappearing on specific display resolutions.
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    StarDrop

    StarDrop

    Optibrium

    With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modeling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process. Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimization challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesize and test fewer compounds.
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    ChemOffice

    ChemOffice

    PerkinElmer Informatics

    ChemOffice enhances scientists’ personal productivity and helps them do better science by enabling them to organize and explore their compounds, reactions and associated properties so that data can be turned into actionable information, and decisions can be made with greater confidence. ChemDraw for Excel adds chemical intelligence to Excel spreadsheets so that chemists can use Excel’s analysis, sorting and organization tools to further manipulate and enrich sets of compounds and data and explore structure-activity relationships. Chem3D generates 3D models so that chemists can view their compounds in three dimensions to assess shape and properties to maximize activity or specificity. ChemFinder is a chemically-intelligent personal database system that scientists use to organize their compounds and to search for and correlate structures with properties.
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    Chemical Computing Group

    Chemical Computing Group

    Chemical Computing Group

    Chemical Computing Group (CCG) has a strong reputation for collaborative scientific support. With offices in North America, Europe and Asia, our team of PhD-level scientists works closely with our clients, providing support, hands-on training and scientific advice on a wide range of projects. CCG continuously develops new technologies with its team of mathematicians, scientists and software engineers and through scientific collaborations with customers.
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    Structure Elucidator
    Elucidate complex structures from experimental data with the help of expert algorithms.
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    ChemDraw

    ChemDraw

    PerkinElmer

    Since 1985 ChemDraw® solutions have provided powerful capabilities and integrations to help you quickly turn ideas and drawings into publications you can be proud of. A chemistry communication suite, ChemOffice+ Cloud transforms your chemical drawings into chemical knowledge by facilitating the management, reporting and presenting of your Chemistry research. ChemOffice+ Cloud, is a robust, comprehensive suite, purpose-built to simplify, facilitate, and accelerate chemistry communication. The cloud-native chemistry communication suite builds on the foundations of ChemDraw Professional and adds access to a powerful set of tools to enable scientific research. The mundane task of creating reports to communicate chemical research has become much more efficient with ChemOffice+ Cloud. With powerful capabilities to search, reuse, select, and organize chemical structures and data, chemists can use ChemOffice+ Cloud to create presentation-ready PowerPoint slides and manuscripts.
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    Chemaxon Marvin Pro
    Draw and publish chemical structures seamlessly with our web-based chemistry editor. Marvin Pro is a drawing tool that combines our chemically intelligent technology with a clean user interface. Chemists, researchers, and students can convert their thoughts into high-quality visual representations in no time. Marvin Pro handles a large number of objects, chemical structures, arrows, or texts, on a single canvas, and aligns them with precision. Chemical editors shouldn’t be complicated. With our intuitive solution, you can transform your chemical structure ideas into clear visuals. The quality of your chemical drawing should match the effort you put into your research. Marvin Pro allows you to create high-quality visuals that you can then present to your workplace. Let the Marvin Pro canvas become an extension of your mind. Add predefined templates or labels, color your structures, and insert images from external sources. You can even display the structure’s formula.
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    NVIDIA VRWorks
    VRWorks is a comprehensive suite of APIs, libraries, and engines that enable application and headset developers to create amazing virtual reality experiences. VRWorks enables a new level of presence by bringing physically realistic visuals, sound, touch interactions, and simulated environments to virtual reality. VRWorks Graphics SDK provides a set of versatile tools to enable ease of integration for application developers to deliver the best VR performance and image quality, with the most configurability and lowest latency. VRWorks Graphics SDK continues to be widely adopted by leading ISV developers in both the enterprise, creative, and gaming markets. Increase application rendering performance. Easy developer integration and extensive support for multiple graphics APIs. Best performance and image quality balance on new innovative platforms. VRSS 2 (Variable Rate Supersampling) is a solution that improves VR image quality using foveated rendering.
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    Fuzzy Logic Studio

    Fuzzy Logic Studio

    Fuzzy Logic Studio

    Visualize digital information and assets in your real-world environment using a mobile, tablet, or smart glasses. Enter and interact with an entirely virtual environment using a headset or surrounding display. Create, launch, and scale cutting-edge AR/VR to impact your business outcomes. Recreate realistic working scenarios and improve knowledge retention. Improve safety and reduce the risk of downtime. Enhance your sales process to close deals in a shorter time span. Engage with your customers to generate loyalty and encourage repeat spending. Communicate effectively with your staff and make your messaging memorable. Create virtual site tours and reduce onboarding times. Understand the challenge you need to solve. Develop a solution tailored to your business. Roll out a solution that will transform your business. Expand your world with augmented reality and virtual reality. 3D visualization and simulation solutions to enhance enterprises.
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    SILCS

    SILCS

    SilcsBio

    Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. SILCS reveals intricacies of dynamics and provides tools to optimize ligand scaffolds using qualitative and quantitative binding pockets insights allowing more rapid and effective drug design. SILCS uses multiple small molecule probes with various functional groups, explicit solvent modeling, and target molecule flexibility to perform protein target mapping. Visualize favorable interactions with the target macromolecule. Gain insights to design better ligands with optimally placed functional groups.
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    Khimera

    Khimera

    Kintech Laboratory

    Khimera is used to calculate the kinetic parameters of microscopic processes, thermodynamic and transport properties of substances and their mixtures in gases, plasmas and gas-solid phases boundary. The primary users are researchers and engineers, involved in kinetic model development as well as thermodynamic and kinetic modeling for chemical engineering, combustion, catalysis, metallurgy, and microelectronics areas. Khimera ideally fits the needs of multi-scale modeling providing the link between fundamental molecular properties of individual molecules and mesoscale ensemble-averaged characteristics of the reactive medium: thermodynamic and transport properties as well as rates of chemical reactions. All the models can use the results of quantum-chemical simulations as an input, thus providing the possibility to recover properties without any experimental input from the user side.
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    Aurora Drug Discovery

    Aurora Drug Discovery

    Aurora Fine Chemicals

    Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand´s binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies. Interaction of a ligand with a protein is characterized by the value of binding free energy. The free energy (F) is the thermodynamic quantity that is directly related to experimentally measurable value of inhibition constant (IC50) and depends on electrostatic, quantum, aqueous solvation forces, as well as on statistical properties of interacting molecules. There are two major contributing quantities leading to non-additivity in F: 1) the electrostatic and solvation energy and 2) the entropy.
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    IVRESS

    IVRESS

    Advanced Science & Automation

    IVRESS is a simulation software product that offers users an integrated virtual reality environment. It's an object-oriented VR toolkit that's designed to enable developers to create immersive interactive worlds. While this might sound like a lofty goal, IVRESS comes with an extensive library of prebuilt objects that can make this a much easier task. Convenient selection and manipulation tools give users the freedom to select any spatial and planar areas they wish. Photorealistic rendering features like texture mapping and transparency make it possible to model fairly realistic scenes. Once you've finished building a VR environment with IVRESS, you can use the spatial navigation control to fly through the scene. This means you'll be able to view models from every side. R&D teams that modeled scenes in older software can import VRML 97 and PLTO3D objects instantly.
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    VeraChem

    VeraChem

    VeraChem

    VeraChem LLC was founded in 2000 to advance the state of the art in computer-aided drug discovery and molecular design by developing computational chemistry methods that are based on cutting-edge basic science but are also applicable in applied science research settings. Efficient high-performance software implementations of these methods coupled with comprehensive user support are a central company strategy for product development. Current VeraChem software capabilities include protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with all the commonly used empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork algorithm, and automatic detection of topological and 3D molecular symmetries. VeraChem’s software packages are constructed from a modular code base.
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    Anatomage VR

    Anatomage VR

    Anatomage

    Anatomage VR is a cost-effective, headset-free virtual reality solution that simulates floating 3D stereoscopic images of real human bodies. As a portable touchscreen tablet, Anatomage VR is anticipated to become an essential learning tool for students who want to access, review and process true anatomy materials after school. Anatomage VR’s content is derived from the renowned Anatomage Table’s real human anatomy data. It gives life to the donated human bodies by restoring their anatomy to the original forms through 3D projections. Anatomage VR can display floating 3D images that can be interacted with, touched, and manipulated for better views without relying on goggles or headsets. This removes the need for tackling multiple devices at the same time. Anatomage VR offers a budget-friendly, alternative route to access Anatomage Table’s real human anatomy, from digital bodies to pathology library, aiding students in learning anatomy concepts.
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    InQuanto

    InQuanto

    Quantinuum

    Quantum computing offers a path forward to rapid and cost-effective development of new molecules and materials. InQuanto, a state-of-the-art quantum computational chemistry platform, represents a critical step toward this goal. Quantum chemistry aims to accurately describe and predict the fundamental properties of matter and hence is a powerful tool in the design and development of new molecules and materials. However, molecules and materials of industrial relevance are complex and not easy to accurately simulate. Today’s capabilities force a trade to either use highly accurate methods on the smallest-sized systems or use approximating techniques. InQuanto’s modular workflow enables both computational chemists and quantum algorithm developers to easily mix and match the latest quantum algorithms with advanced subroutines and error mitigation techniques to get the best out of today’s quantum platforms.
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    AppReal

    AppReal

    AppReal

    Experience photo-realistic augmented reality fashion apps built for watches, spectacles & furniture by the AppReal team. An Android app that provides the experience of photo-realistic 3D watch models on your wrist, this application is exclusively made for showrooms, anyone who walks into a retail outlet should have the option to try out and see all watch designs. The wrist detection web application provides a watch try-on experience, with the help of computer vision & AI, the wrist is tracked and a 2D watch image is placed on the wrist. Try it on the web. The wrist detection Android app provides the experience of photo-realistic watch models on your wrist, this application will enable users from their comfortable place to try out and see all watch designs online. The mobile app provides photo-realistic 3D and augmented reality models of furniture, glasses, watches, and all kinds of products.
    Starting Price: Free
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    Apex Officer

    Apex Officer

    Apex Officer

    Apex Officer is a virtual reality training simulator for police officers and law enforcement. Apex Officer provides police officers and law enforcement agencies with turnkey virtual reality force options training simulators and VR technology training solutions. We don't put a limit on how often you can use your simulator. You can train as many officers as you want, as often as you'd like. Apex Officer is the world’s most realistic and immersive VR force training simulator for law enforcement professionals. Train with real firearms and equipment modified specifically for a virtual reality training environment. When we say there are unlimited scenarios, we mean it. You are in complete control of your training content. Apex Officer customers receive the best technical service in the business. We update our software weekly. Through our history of providing innovative interactive virtual reality simulation training technology.
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    BioNeMo

    BioNeMo

    NVIDIA

    BioNeMo is an AI-powered drug discovery cloud service and framework built on NVIDIA NeMo Megatron for training and deploying large biomolecular transformer AI models at a supercomputing scale. The service includes pre-trained large language models (LLMs) and native support for common file formats for proteins, DNA, RNA, and chemistry, providing data loaders for SMILES for molecular structures and FASTA for amino acid and nucleotide sequences. The BioNeMo framework will also be available for download for running on your own infrastructure. ESM-1, based on Meta AI’s state-of-the-art ESM-1b, and ProtT5 are transformer-based protein language models that can be used to generate learned embeddings for tasks like protein structure and property prediction. OpenFold, a deep learning model for 3D structure prediction of novel protein sequences, will be available in BioNeMo service.
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    GrafX2

    GrafX2

    GrafX2

    GrafX2 is a bitmap paint program inspired by the Amiga programs ​Deluxe Paint and Brilliance. Specialized in 256-color drawing, it includes a very large number of tools and effects that make it particularly suitable for pixel art, game graphics, and generally any detailed graphics painted with a mouse. The program is mostly developed on Haiku, Linux and Windows, but is also portable on many other platforms.
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    Shutter

    Shutter

    Netlify

    Shutter is a feature-rich screenshot program for Linux based operating systems such as Ubuntu. You can take a screenshot of a specific area, window, your whole screen, or even of a website – apply different effects to it, draw on it to highlight points, and then upload to an image hosting site, all within one window. Shutter is free, open-source, and licensed under GPL v3. Shutter allows you to capture nearly anything on your screen without loosing control over your screenshots (tabbed interface). Especially if you are taking screenshots for writing tutorials or manuals you need to edit the image, e.g. highlighting some part of it. With Shutter you don’t need to open an external graphics editor like GIMP, because Shutter ships with its own built-in editor. We all spend much of our time in forums, wikis, chats etc. From time to time we need to do some screenshots and upload them so we can share them with other people.
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    AutoDock

    AutoDock

    AutoDock

    AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed. Current distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina. More recently, we developed AutoDock-GPU, an accelerated version of AutoDock4 that is hundreds of times faster than the original single-CPU docking code. AutoDock 4 actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein; autogrid pre-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualized. This can help, for example, to guide organic synthetic chemists design better binders.
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    Rocky DEM

    Rocky DEM

    Rocky

    Rocky DEM quickly and accurately simulates the flow behavior of bulk materials with complex particle shapes and size distributions. Only in Rocky DEM can you combine the processing power of several GPU cards to accelerate your simulations, enabling you to work with higher volumes of data in less time. Rocky DEM allows modeling of accurate particle shapes which includes custom 3D bodies, 2D shells and fibers which can be made rigid or flexible. Enable your equipment components to move freely in response to forces such as particle contacts, gravity, and more. Rocky DEM’s Application Programming Interface (API) is based on the most-recent technology for customization and user experience integration. The result delivers unique usability, portability and, above all, solver performance. Fully integrated with Ansys Workbench (Fluent, Mechanical, Optislang and DesignXplorer). Includes both one-way and two-way coupling abilities with Ansys Fluent providing physically consistent results.
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    Microsoft Mesh

    Microsoft Mesh

    Microsoft

    Microsoft Mesh enables presence and shared experiences from anywhere – on any device – through mixed reality applications. Connect with new depth and dimension. Engage with eye contact, facial expressions, and gestures. Your personality shines as technology fades away. Digital intelligence comes to the real world. See, share, and collaborate on persistent 3D content. This common understanding ignites ideas, sparks creativity, and forms powerful bonds. Enjoy the freedom to access Mesh on HoloLens 2, VR headsets, mobile phones, tablets, or PCs – using any Mesh-enabled app. Project yourself as your most lifelike, photorealistic self in mixed reality to interact as if you’re there in person. Move through your world and get relevant, digital information when, and where, you need it. This fluidity accelerates decision-making and speeds problem-solving.
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    Indigo Renderer

    Indigo Renderer

    Indigo Renderer

    Indigo Renderer is an unbiased, photorealistic GPU and CPU renderer aimed at ultimate image quality, by accurately simulating the physics of light. State-of-the-art rendering performance, materials and cameras models - it's all made simple through an interactive, photographic approach. Indigo's OpenCL-based GPU engine provides industry-leading performance on Nvidia and AMD graphics cards. With a single modern GPU, it's approximately 10x faster than before. Simply add more GPUs and get the horsepower to quickly render incredible 4K images and animations. A dark UI mode. Interactive material previews and light-layer thumbnails. RGB colour curves and snappy trackball navigation. These are just some of the new features making Indigo 4 the most streamlined and enjoyable version yet. A dark UI mode. Interactive material previews and light-layer thumbnails. RGB colour curves and snappy trackball navigation.
    Starting Price: $835 per license
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    NVIDIA HPC SDK
    The NVIDIA HPC Software Development Kit (SDK) includes the proven compilers, libraries and software tools essential to maximizing developer productivity and the performance and portability of HPC applications. The NVIDIA HPC SDK C, C++, and Fortran compilers support GPU acceleration of HPC modeling and simulation applications with standard C++ and Fortran, OpenACC® directives, and CUDA®. GPU-accelerated math libraries maximize performance on common HPC algorithms, and optimized communications libraries enable standards-based multi-GPU and scalable systems programming. Performance profiling and debugging tools simplify porting and optimization of HPC applications, and containerization tools enable easy deployment on-premises or in the cloud. With support for NVIDIA GPUs and Arm, OpenPOWER, or x86-64 CPUs running Linux, the HPC SDK provides the tools you need to build NVIDIA GPU-accelerated HPC applications.
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    AR Composer
    Reality Composer is a powerful tool that makes it easy for you to create interactive augmented reality experiences with no prior 3D experience. Reality Converter quickly converts your existing 3D models to USDZ so it works seamlessly in our tools and on all AR-enabled iPhone and iPad devices. Reality Composer for iOS, iPadOS, and macOS makes it easy to build, test, tune, and simulate AR experiences for iPhone or iPad. With live linking, you can rapidly move between Mac and iPhone or Mac and iPad to create stunning AR experiences, then export them to AR Quick Look or integrate them into your app with Xcode. Import your own USDZ files or take advantage of the hundreds of ready-to-use virtual objects in the built-in AR library. This library harnesses the power of procedural content generation for a variety of assets, so you can customize a virtual object’s size, style, and more.
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    Genedata Biologics
    Genedata Biologics® streamlines discovery of biotherapeutics including bispecifics, ADCs, TCRs, CAR-Ts, and AAVs. The most widely adopted platform across the industry, it integrates all discovery workflows so you can focus on true innovation. Accelerate research with a first-in-class platform uniquely designed from the start to digitalize biotherapeutic discovery. The platform facilitates complex R&D processes by designing, tracking, testing, and assessing novel biotherapeutics drugs. It works with any format, from antibodies, bi- or multi-specifics, ADCs, novel scaffolds, and therapeutic proteins, to engineered therapeutic cell lines such as TCRs and CAR-T cells. Acting as a central end-to-end data backbone, Genedata Biologics integrates all R&D processes, from library design and immunizations, selections and panning, molecular biology, screening, protein engineering, expression, purification, and protein analytics, to candidate developability and manufacturability assessments.
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    Maestro | AR
    Easily produce captivating 3D virtual objects that look like part of the actual environment. Maestro | AR offers a suite of augmented reality tools that enable you to add visual interest to news, game shows, financial programs, election coverage, sports events, and other productions—both indoors and out. 3D objects remain tied to their exact position—regardless of camera motion—no chroma keying required. You can even use it for product placement and substantially increase your ROI. Maestro | AR comes with powerful augmented reality tools that enable you to quickly insert and control 3D virtual objects and immersive graphics in any virtual and/or conventional studio. From mapping videos onto objects and inserting virtual display screens, to superimposing static or animated 3D objects into a set that presenters can interact with, Maestro | AR makes the seemingly impossible possible.
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    Digital Fashion Pro

    Digital Fashion Pro

    Harper Arrington

    Digital Fashion Pro Fashion Design Software is a super easy, complete fashion designing system, consisting of hundreds of customizable clothing templates, hundreds of real digital fabrics, materials & textures, button & zipper templates, apparel effect & stitch simulation templates, fashion graphics, model poses, fast track step by step video training & eGuide, plus includes a free graphics editing program. These features work in harmony, giving you the power and freedom to create! Take your product development to the next level. The DFP Style Blast Edition (25 items) also includes The Official Step by Step Guide to starting your own clothing line + list of over 250 clothing manufacturers/fashion suppliers that can make your clothing. Get Everything You Need to Start Your Clothing Line! Men and Women Vector Clothing Templates Featuring basic fronts and backs of: Pants, Shorts, Tanks, Tees, Polos, etc.
    Starting Price: $199 one-time payment
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    Imverse LiveMaker
    Use LiveMaker™ to make photorealistic 3D scenes for virtual reality experiences, volumetric videos, movie previsualization, video games, immersive training, virtual showrooms, and much more! LiveMaker™ is the first software that enables you to build 3D models from inside of virtual reality. It’s easy to use, and requires no special programming skills. Using proprietary voxel technology, LiveMaker™ lets you import 360° photos and reconstruct their geometry, retexture occlusions, create new objects, and relight the entire scene. It also allows you to import and integrate external media and assets, static or dynamic, low or high quality, so you can design your virtual scene without limitations. You can use LiveMaker™ to create complete environments or for quick visual prototyping, and the 3D models created with LiveMaker™ can be easily exported and used in other tools depending on your needs and workflow.
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    LigPlot+

    LigPlot+

    EMBL-EBI

    LigPlot+ is a successor to our original LIGPLOT program for the automatic generation of 2D ligand-protein interaction diagrams. It is run from an intuitive java interface that allows on-screen editing of the plots via mouse click-and-drag operations. In addition to the new interface, the program includes several major enhancements over the old version. When two or more ligand-protein complexes are sufficiently similar, LigPlot+ can automatically display their interaction diagrams either superposed or side by side. Any conserved interactions are highlighted. The LigPlot+ suite also now includes an update of the original DIMPLOT program for plotting protein-protein or domain-domain interactions. Users can flexibly select the interface of interest and DIMPLOT will then generate a diagram showing the residue-residue interactions across the interface. To assist in interpretation, the residues in one of the interfaces can be optionally displayed in sequence order.
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    Xojo

    Xojo

    Xojo

    The object-oriented Xojo programming language and cross-platform rapid application development tool let you develop native applications for macOS, Windows, Linux, the web, iOS and Raspberry Pi. User interfaces are quickly and intuitively made with drag and drop and the modern framework supports features like graphics, database servers and internet protocols. Xojo abstracts you from the platform details allowing you to focus your time and energy on what makes your app unique. Xojo is free to use for learning and development.
    Starting Price: $99.00/user
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    GPUonCLOUD

    GPUonCLOUD

    GPUonCLOUD

    Traditionally, deep learning, 3D modeling, simulations, distributed analytics, and molecular modeling take days or weeks time. However, with GPUonCLOUD’s dedicated GPU servers, it's a matter of hours. You may want to opt for pre-configured systems or pre-built instances with GPUs featuring deep learning frameworks like TensorFlow, PyTorch, MXNet, TensorRT, libraries e.g. real-time computer vision library OpenCV, thereby accelerating your AI/ML model-building experience. Among the wide variety of GPUs available to us, some of the GPU servers are best fit for graphics workstations and multi-player accelerated gaming. Instant jumpstart frameworks increase the speed and agility of the AI/ML environment with effective and efficient environment lifecycle management.
    Starting Price: $1 per hour