Ascalaph Designer Alternatives

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.

By performing structural analyses on fully featured CAD assemblies within minutes, SimSolid is the game-changing simulation technology for designers, engineers, and analysts. It eliminates geometry preparation and meshing: the two most time-consuming, expertise-extensive and error-prone tasks performed in a conventional structural simulation. Multiple design scenarios can be simulated quickly under real-life conditions. Early CAD models, in any common format, can be used. SimSolid tolerance of imprecise geometry means that, unlike CAD-embedded simulation tools, there is no need to simplify complex geometries before analyzing designs. SimSolid supports all typical connections (bolt/nut, bonded, welds, rivets, sliding) and analysis of linear static, modal, thermal properties, along with more complex coupled, nonlinear, transient dynamic effects.

YASARA is a molecular graphics, modeling, and simulation program for Windows, Linux, MacOS, and Android developed in 1993, that finally makes it really easy to answer your questions. With an intuitive user interface, photorealistic graphics, and support for affordable virtual reality headsets, shutter glasses, autostereoscopic displays, and input devices, YASARA creates a new level of interaction with the 'artificial reality', that allows you to focus on your goal and forget about the details of the program. YASARA is powered by PVL (Portable Vector Language), a new development framework that provides performance way above traditional software. PVL allows you to visualize even the largest proteins and enables true interactive real-time simulations with highly accurate force fields on standard PCs, making use of GPUs if available. You can push and pull molecules around and work with dynamic models instead of static pictures.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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).

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

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.

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.

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.

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.

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.

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.

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.

Elucidate complex structures from experimental data with the help of expert algorithms.

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.

Persistence container technology enables lightweight operation. Pay-per-use in seconds rather than hours or months. Fees will be paid by credit card in the next month. High performance, but low price compared to others. Will be installed in the world's fastest supercomputer by Oak Ridge National Laboratory. Machine learning applications like deep learning, computational fluid dynamics, video encoding, 3D graphics workstation, 3D rendering, VFX, computational finance, seismic analysis, molecular modeling, genomics, and other server-side GPU computation workloads.

JADBio is a state-of-the-art automated Machine Learning Platform without the need for coding. With its breakthrough algorithms it can solve open problems in machine learning. Anybody can use it and perform a sophisticated and correct machine learning analysis even if they do not know any math, statistics, or coding. It is purpose-built for life science data and particularly molecular data. This means that it can deal with the idiosyncrasies of molecular data such as very low sample size and very high number of measured quantities that could reach to millions. Life scientists need it to understand what are the features and biomarkers that are predictive and important, what is their role, and get intuition about the molecular mechanisms involved. Knowledge discovery is often more important than a predictive model. So, JADBio focuses on feature selection and its interpretation.

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.

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.

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.

quattro research GmbH is an interdisciplinary team of scientists and IT specialists. We develop innovative solutions and products for our customers from the life science , pharma and chemistry industries. Integration and separation of databases and intellectual property after mergers and spin-offs respectively. Biological and chemical registration systems, including complex proteins, supporting the HELM notation. Scientists working with antibodies, antibodydrug-conjugates, large peptides, RNA molecules or any other biomolecule need appropriate software solutions. quattro research offers solutions for registration and management of biomolecules based on the open HELM Notation & Editor.

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.

You can use our Python API to build a prototype of your pipeline and use Towhee to automatically optimize it for production-ready environments. From images to text to 3D molecular structures, Towhee supports data transformation for nearly 20 different unstructured data modalities. We provide end-to-end pipeline optimizations, covering everything from data decoding/encoding, to model inference, making your pipeline execution 10x faster. Towhee provides out-of-the-box integration with your favorite libraries, tools, and frameworks, making development quick and easy. Towhee includes a pythonic method-chaining API for describing custom data processing pipelines. We also support schemas, making processing unstructured data as easy as handling tabular data.

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.

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.

CryoTrackIMS is a complete software package - ideal for molecular biology, cell banks, cellular biology, clinical samples, biorepository, biobanking, biochemistry, immunology and protein labs, high-throughput screening, QA, IVF labs and core labs and facilities. Create any box, plate or pie configuration - select rows and columns or select a Pie configuration - your box is created in seconds ready to input data. Inventory of valuable biological samples and specimen is critical for basic research and biotech business. Keeping track of large numbers and types of samples (DNA, RNA, plasmids, clones, proteins, peptides, probes, antibodies, enzymes, specimen, tissues, cell lines and more) and where they are and their precise location is a nightmare and daunting task for many that cost a great deal not only in monetary terms but also leads to frustrations and time loss. CryoTrack offers a complete solution for individual labs in universities, clinics, biotech and pharmaceutical companies.

Ansys Icepak is a CFD solver for electronics thermal management. It predicts airflow, temperature, and heat transfer in IC packages, PCBs, electronic assemblies/enclosures, and power electronics. Ansys Icepak provides powerful electronic cooling solutions that utilize the industry-leading Ansys Fluent computational fluid dynamics (CFD) solver for thermal and fluid flow analyses of integrated circuits (ICs), packages, printed circuit boards (PCBs), and electronic assemblies. The Ansys Icepak CFD solver uses the Ansys Electronics Desktop (AEDT) graphical user interface (GUI). Perform conduction, convection, and radiation conjugate heat transfer analyses, with many advanced capabilities to model laminar and turbulent flows, and species analysis including radiation and convection. Ansys’ complete PCB design solution enables you to simulate PCBs, ICs, and packages and accurately evaluate an entire system.

Azore is a computational fluid dynamics software tool for analyzing fluid flow and heat transfer. CFD provides engineers and scientists a method for analyzing a wide array of fluid mechanics, thermal, and chemical problems numerically on a computer. Many different types of fluid dynamic situations can be simulated using Azore, including air, gas, liquid, or particulate-laden flows. For liquid systems, modeling the flow of water through a piping system or evaluating water velocity profiles around submerged objects are common uses of Azore. The flow of air or gases can also be analyzed such as simulating the ambient air velocity profiles of wind as it passes around buildings or investigating the flow and heat transfer inside a room, duct system, mechanical equipment, or industrial process. Azore CFD can be used to simulate essentially any incompressible, steady-state, or transient fluid flow model, including problems that involve conjugate heat transfer and species transport.

VibrantSnap provides a user-friendly experience, making it easy to showcase dynamic visuals and enhance your storytelling. Discover the power of animated screenshots with VibrantSnap. Easily tailor your screenshot to reflect your unique style with just a few clicks. Our user-friendly interface makes it a breeze for anyone with no technical expertise required. Set beautiful gradients automatically or manually with color codes. Add rounded corner, shadow, transparency, Resize and orient your shot with ease. Whether for presentation, social media posts, or engaging content creation, VibrantSnap provides the tools to make your visuals stand out and immersive.

Fraps is a universal Windows application that can be used with games using DirectX or OpenGL graphic technology. In its current form, Fraps performs many tasks and can best be described as. Show how many Frames Per Second (FPS) you are getting in a corner of your screen. Perform custom benchmarks and measure the frame rate between any two points. Save the statistics out to disk and use them for your own reviews and applications. Take a screenshot with the press of a key! There's no need to paste into a paint program every time you want a new shot. Your screen captures are automatically named and timestamped. Have you ever wanted to record video while playing your favorite game? Come join the Machinima revolution! Throw away the VCR, forget about using a DV cam, game recording has never been this easy! Fraps can capture audio and video up to 7680x4800 with custom frame rates from 1 to 120 frames per second!

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.

Signals Inventa, formerly known as Signals Lead Discovery, is a next-generation data management system for the analysis of scientific results. Powered by PerkinElmer’s innovative Signals Data Factory technology it enables you to efficiently access and analyze all scientific results collected throughout the research and development lifecycle. No matter what you make, Signals Inventa helps you decide which tests offer the best results, what you should make next, what to test further, and lots more. With Signals Inventa, data is normalized, staged, and ready to explore. Signals Inventa expands scientific understanding with a range of scientific-analytical methods, including R-group decomposition, chemical clustering, matched molecular pair analysis, maximum chemical substructure, blast search of both internal and external databases, and sequence alignment.

A full-featured screen capture tool, Intuitive image editor, color picker, color palette, pixel-ruler, protractor, crosshair, whiteboard and more. Take screenshots of an entire screen, an active window, the scrolling windows and any specific region of your desktop, etc. Annotate and highlight your images: text, arrows, shapes and more with the built-in image editor that includes the latest Ribbon style menu. Easily add effects to your images: drop shadows, frames, watermarks, mosaic, motion blur, brightness control and more. Variety of graphic design accessories including color picker, color palette, pixel ruler, protractor, crosshair, magnifier, whiteboard. With highly advanced settings, you can customize hotkeys, file naming, image quality, and many other options that fits your needs. Help you find the exact pixel color code on your screen with a built-in magnifier window. Find and tune the exact pixel color code using photoshop styled color picker which supports RGB, HSV.

IAL (Interactive lab) Platform is modular platform which enables labs to manage samples end to end workflow. IAL is a Laboratory information System (LIS / LIMS) which is a web based application system that empowers your testing facility with the ability to improve efficiency, better manage samples and test results, and automate workflows and associated information. The IAL platform is modular with each module to fit in lab operation workflow. IAL is the best solution for managing your molecular diagnostics and genetic testing lab. Secure and HIPAA compliance Works with a wide range of testing systems and high complexity analyzers Interfaces with wide range of healthcare systems. Web-based access, order entry, test scheduling, and results queries Modular, you can choose the modules to fit your custom lab workflow to enhance your operations scalability Customizable Exportable Views through dynamic grid Can be hosted in our cloud or on your servers. Custom Reporting.

Synfig Studio is a free and open-source 2D animation software, designed as a powerful industrial-strength solution for creating film-quality animation using a vector and bitmap artwork. It eliminates the need to create frame-by-frame animation, allowing you to produce 2D animation of a higher quality with fewer people and resources. Transform any vector shape into another! Synfig gives you powerful tools for full control of your vector artwork. Just set the key positions and the intermediate frames will be calculated automatically. Synfig provides more than 50 layers to create illustrations and animations of any complexity. Choose from several types of layers: geometry, gradients, filters, distortions, transformations, fractals and others. The full-featured bone system allows you to create cutout animations using bitmap images or control your vector artwork.

Simulate real-world designs, devices, and processes with multiphysics software from COMSOL. General-purpose simulation software based on advanced numerical methods. Fully coupled multiphysics and single-physics modeling capabilities. Complete modeling workflow, from geometry to postprocessing. User-friendly tools for building and deploying simulation apps. The COMSOL Multiphysics® software brings a user interface and experience that is always the same, regardless of engineering application and physics phenomena. Add-on modules provide specialized functionality for electromagnetics, structural mechanics, acoustics, fluid flow, heat transfer, and chemical engineering. Choose from a list of LiveLink™ products to interface directly with CAD and other third-party software. Deploy simulation applications with COMSOL Compiler™ and COMSOL Server™. Create physics-based models and simulation applications with this software platform.

Calculate physicochemical properties such as aqueous solubility, boiling point, logD, logP, pKa, Sigma, and other molecular descriptors for organic compounds, from chemical structure.

20-sim is a modeling and simulation software package for mechatronic systems. With 20-sim you can enter models graphically, similar to drawing an engineering scheme. With these models, you can simulate and analyze the behavior of multi-domain dynamic systems and create control systems. You can even generate C-code and run this code on hardware for rapid prototyping and HIL-simulation. 20-sim provides you with features that allow you to create models very quickly and intuitively. You can create models using equations, block diagrams, physics blocks and bond graphs. Various features help you to build your models, simulate them and analyze their performance. Models are built in the 20-sim editor. This editor contains a large model library with building blocks to help you to construct models. The model library contains many components such as block diagrams and bond graphs.

VisualARQ is a Flexible BIM solution powered by McNeel’s Rhinoceros 3D. VisualARQ enhances Rhino by adding powerful associative object styling and dynamic documentation tools which adapt to fit the professional’s workflow. VisualARQ allows you to with parametric architectural objects, produce 2D drawings from the 3D model, generate dynamic BIM objects driven by Grasshopper, automate many modeling tasks through the VisualARQ components built for Grasshopper, add custom data to geometry and list in schedules and finally deliver BIM models and collaborate with other tools through the IFC import/export capabilities.