Alternatives to alvaModel
Compare alvaModel alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to alvaModel in 2026. Compare features, ratings, user reviews, pricing, and more from alvaModel competitors and alternatives in order to make an informed decision for your business.
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1
SYNTHIA Retrosynthesis Software
Merck KGaA
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.Starting Price: €0 / 30 days -
2
alvaBuilder
Alvascience
alvaBuilder is a no-code de novo molecular design software for generating novel chemical structures that satisfy user-defined structural, physicochemical, and modeling constraints. It enables the creation of new molecules starting from scratch or by evolving existing structures using fragment-based and rule-driven approaches. alvaBuilder integrates seamlessly with QSAR/QSPR workflows, allowing users to guide molecule generation using predictive models, descriptor ranges, and property targets. The software supports medicinal chemistry, lead optimization, and virtual screening tasks by efficiently exploring chemical space while maintaining chemical feasibility and interpretability. alvaBuilder is designed for research and industrial applications where transparent, controllable, and reproducible molecular generation is required. -
3
alvaDesc
Alvascience
alvaDesc is a cheminformatics software for the calculation and analysis of molecular descriptors, fingerprints, and structural patterns for QSAR, QSPR, read-across, and machine learning applications. It computes more than 5,000 molecular descriptors (0D–3D), including constitutional, topological, geometrical, electronic, physicochemical, and fragment-based descriptors. The software also generates molecular fingerprints and structural pattern counts for similarity analysis, clustering, and classification. Integrated tools support descriptor filtering and correlation analysis for robust and reproducible modeling. alvaDesc integrates seamlessly with KNIME and Python, enabling efficient connection to external data analysis and machine learning workflows. It is widely used in academic and industrial research and supported by extensive documentation and scientific publications. -
4
alvaMolecule
Alvascience
alvaMolecule is a no-code cheminformatics tool for visualizing, curating, and standardizing molecular datasets before analysis. It supports common molecular formats (SMILES, SDF/MOL2) and lets users explore collections in grid or spreadsheet views, with automatic import of associated data. The software provides structure verification and standardization using predefined standardizers and custom SMIRKS rules, helps detect and manage duplicates, and offers scaffold analysis to summarize core frameworks. Built-in filters and charting tools enable sorting by substructure, calculated molecular descriptors, and physicochemical properties. alvaMolecule calculates ~88 structural and physicochemical properties, including drug-like and lead-like scores such as LogP, TPSA, and the Lipinski alert index, helping prepare high-quality datasets for QSAR/QSPR modeling, descriptor calculation, and virtual screening workflows. -
5
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. -
6
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. -
7
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 -
8
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. -
9
ESPResSo
ESPResSo
ESPResSo, the Extensible Simulation Package for Research on Soft Matter, is a highly versatile open source simulation package for performing and analyzing scientific molecular dynamics and Monte Carlo many-particle simulations. It is designed as a universal tool for simulating a variety of soft matter systems, especially coarse-grained atomistic or bead-spring models used in physics, chemistry, molecular biology, and process engineering. ESPResSo can be used to simulate polymers, liquid crystals, colloids, polyelectrolytes, ferrofluids, gels, biological systems, DNA, lipid membranes, bacterial motion, and super-capacitors. In coarse-grained models, a group of atoms or molecules is treated as a single bead, allowing researchers to investigate larger time and length scales than would be practical with fully atomistic simulations. ESPResSo supports classical molecular dynamics simulations in different statistical ensembles.Starting Price: Free -
10
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. -
11
GPT-Rosalind
OpenAI
GPT-Rosalind is a purpose-built frontier reasoning model developed by OpenAI to accelerate scientific research across biology, drug discovery, and translational medicine. It is designed specifically for life sciences workflows, where researchers must navigate large volumes of literature, experimental data, and specialized databases to generate and validate new ideas. It combines deep domain understanding in areas such as chemistry, genomics, protein engineering, and disease biology with advanced tool-use capabilities, allowing it to interact with scientific databases, analyze experimental outputs, and support complex, multi-step reasoning tasks. It can assist with evidence synthesis, hypothesis generation, literature review, sequence interpretation, and experimental planning, helping scientists move faster from raw data to actionable insights. GPT-Rosalind transforms complex, time-intensive research processes into more efficient AI-assisted workflows. -
12
Alchemite
Intellegens
Alchemite provides AI-augmented physical modeling and solutions that help organizations extract actionable insights from experimental and simulation data by combining machine learning with physics-informed models to improve prediction accuracy, reduce experimental costs, and optimize product and process development. Its solutions span materials discovery and design, predictive modelling of performance and reliability, multiscale modelling that connects atomistic to macroscopic behaviour, and automation of workflow tasks such as data integration, surrogate modelling, and model validation. It supports physics-aware neural networks and hybrid modelling approaches that respect underlying scientific laws while learning from data to enable faster and more accurate simulations, reduced reliance on expensive physical testing, and improved decision-making. Intellegens’ tools are applied in areas such as battery performance prediction, chemical process optimization, etc. -
13
GROMACS
GROMACS
GROMACS is a free and open source suite for high-performance molecular dynamics and output analysis. It is a versatile package for simulating the Newtonian equations of motion for systems with hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulation, and particle-based systems. GROMACS is primarily designed for biochemical molecules such as proteins, lipids, and nucleic acids, which involve many complicated bonded interactions, but its speed in calculating nonbonded interactions also makes it useful for non-biological systems such as polymers and other materials. It can model ensembles of particles in liquid, solid, or gaseous states and supports a wide range of molecular dynamics workflows, from basic energy minimization and equilibration to production simulations and detailed trajectory analysis.Starting Price: Free -
14
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. -
15
Promethium
Promethium
Promethium is a GPU-powered chemistry simulation platform designed to accelerate drug and materials development by enabling faster and more accurate quantum chemistry calculations. Built from the ground up for NVIDIA datacenter GPUs like A100, it employs novel QC Ware streaming algorithms to achieve unprecedented computational speed and high throughput-to-power consumption ratios. It supports density functional theory calculations on systems with up to 2,000 atoms, allowing simulations of large molecular systems that are not feasible with legacy CPU-powered ab initio codes. For instance, a single-point calculation of a 2,056-atom protein can be completed in 14 hours on a single GPU. Promethium offers a range of capabilities, including single-point energy calculations, geometry optimization, conformer search, torsion scan, reaction path optimization, transition state optimization, interaction energy computations, and relaxed potential energy surface scans.Starting Price: $30 per hour -
16
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 -
17
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. -
18
NAMD
Theoretical and Computational Biophysics Group
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, it scales from desktop and laptop computers to high-end parallel platforms, hundreds of cores for typical simulations, and beyond 500,000 cores for the largest simulations. NAMD is built for researchers who need to simulate large molecular systems efficiently while preserving compatibility with widely used molecular modeling workflows. It uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, and it is file-compatible with AMBER, CHARMM, and X-PLOR. It is designed to support biomolecular simulations involving proteins, membranes, nucleic acids, solvents, ions, and other molecular systems where atomic interactions and time-dependent motion need to be studied in detail.Starting Price: Free -
19
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. -
20
Phoenix PK/PD Platform
Certara
With all the tools you need in a single, interoperable platform, effortlessly share pre-clinical and clinical knowledge across your organization through secure and consistent workflows using Phoenix-based tools and 3rd-party applications. Phoenix WinNonlin is the first choice for non-compartmental analysis (NCA), toxicokinetic modeling, and pharmacokinetic and pharmacodynamic (PK/PD) modeling by over 6,000 researchers at biopharmaceutical companies, academic institutions, and 11 global regulatory agencies, including the US FDA, EMA, PMDA and more. The Phoenix Platform also features population PK/PD (popPK) modeling with Phoenix NLME and Level A correlation via the Phoenix IVIVC Toolkit, Validation Suites provide fast and easy software validation in under 30 minutes. -
21
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. -
22
Alva AI
Alva
Alva AI is your trusted co-pilot system, adept at assisting you with various daily tasks such as organizing your schedule and overseeing your goals. Organize your chats and messages by creating collections. Use instant image prompts for effortless creation. Access a collection of ready-made image prompts for effortless generation without the need to brainstorm or think of ideas. Generate a variety of images and conveniently save them as messages or organize them neatly into collections for easy access and enjoyment. Select from various categories to find the perfect prompt that resonates with you, initiating your image-generation process. Discover Alva AI, your trusted copilot companion, and immerse yourself in its incredible capabilities for a delightful experience. Efficiently translate complex text into any language with precision and accuracy. Easily set your favorite language for instant, one-click translations, and convenient access.Starting Price: $10.19 per month -
23
Alva
Alva Labs
Tired of sifting through hundreds of CVs, not being certain of what actually predicts job success? With Alva, you can start spending time on interviewing your candidates instead. Our psychometric tests improve your screening accuracy, and give all candidates a fair and objective chance. Setting up a new job in Alva is done in minutes. Create the job position and turn your requirements into a test profile, based on relevant qualifications and skills, carefully developed by our own experts. Add team members to start collaborating – and you're good to go! To get started assessing requires minimal manual work. Simply choose if you want candidates to take both the logic test or personality test, or just one of them. Work with triggers in your ATS, or send out the test invitations to your candidates automatically. After completing the tests, candidates get instant access to their results. -
24
Alva
Alva
Alva is an AI-powered research assistant and copilot for crypto exploration that synthesizes data from whitepapers, news outlets, on-chain activity, social media, and market metrics to provide real-time, structured insights and analyses through an intuitive chat-based interface and browser extension (GPT-4o enabled). It offers on-demand market intelligence, including token analytics, whale activity monitoring, price chart visualization, proprietary Influence Scores that gauge social hype across X, Telegram, and news sources, and AI-driven sentiment analysis of crypto discourse. Users can automate their research with custom Alva Agents for push notifications on price action and smart-money movements, leverage an X Reply Bot for instant AI insights directly in Twitter threads, and access AI-generated summaries of complex documents and on-chain data without manual sifting.Starting Price: Free -
25
BioSymetrics
BioSymetrics
We integrate clinical and experimental data using machine learning to navigate human disease biology and advance precision medicines. Our patent-pending Contingent AI™ understands relationships within the data to provide sophisticated insights. We address data bias by iterating on machine learning models based upon decisions made in the pre-processing and feature engineering stages. We leverage zebrafish, cellular and other phenotypic animal models to validate in silico predictions in vivo experiments and genetically modify them in vitro and in vivo, to improve translation. Using active learning and computer vision on validated models for cardiac, central nervous system and rare disorders, we rapidly incorporate new data into our machine learning models. -
26
YASARA
YASARA
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.Starting Price: Free -
27
Evo Designer
Arc Institute
Evo Designer is an advanced tool developed by the Arc Institute, leveraging the capabilities of the Evo 2 genomic foundation model to facilitate DNA sequence generation and analysis. This platform enables users to input nucleotide sequences or specify organisms, prompting the model to generate corresponding DNA sequences. It provides comprehensive annotations of coding regions and, for prokaryotic sequences, offers 3D protein visualizations utilizing ESMFold. Additionally, Evo Designer evaluates sequences by scoring their perplexity and per-nucleotide entropy, assisting researchers in assessing sequence complexity and variability. The underlying Evo 2 model is trained on over 9 trillion nucleotides from a diverse array of prokaryotic and eukaryotic genomes, employing a deep learning architecture that models biological sequences at single-nucleotide resolution with a context window extending up to 1 million tokens. -
28
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. -
29
InSilicoTrials
InSilicoTrials
InSilicoTrials.com is a web-based platform, which provides a user-friendly computational modeling and simulation environment where many integrated easy-to-use in silico tools are readily available. The platform targets primarily users from the medical devices and pharmaceutical sectors. The in silico tools available for medical devices enable computational testing in different biomedical areas like radiology, orthopedics and cardiovascular during product design, development and validation processes. For the pharmaceutical sector, the platform provides access to in silico tools developed at all stages of the drug discovery and development processes and for many different therapeutic areas. We have built the only cloud-platform based on the crowdscience concept that makes it easy to use validated models and cut your R&D costs now. A growing catalogue of models ready to be used, on a pay per use basis. -
30
NVIDIA 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. -
31
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. -
32
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 -
33
AQBioSim
SandboxAQ
AQBioSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQBioSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQBioSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQBioSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
34
Amazon Bio Discovery
Amazon
Amazon Bio Discovery is an AI-powered application designed to accelerate early-stage drug discovery by combining computational biology models with real-world laboratory testing in a unified, “lab-in-the-loop” workflow. It provides scientists with direct access to a broad catalog of biological foundation models trained on large-scale biological datasets, enabling them to generate and evaluate potential drug candidates such as antibodies with greater speed and precision. Through an integrated AI agent, users can interact in natural language to select appropriate models, configure experiments, and optimize inputs without requiring advanced coding or infrastructure expertise. It allows researchers to build multi-step pipelines that combine different models, benchmark their performance, and reuse workflows across teams, improving collaboration between computational biologists and lab scientists. -
35
Chemaxon Design Hub
Chemaxon
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). -
36
Evo 2
Arc Institute
Evo 2 is a genomic foundation model capable of generalist prediction and design tasks across DNA, RNA, and proteins. It utilizes a frontier deep learning architecture to model biological sequences at single-nucleotide resolution, achieving near-linear scaling of compute and memory relative to context length. Trained with 40 billion parameters and a 1 megabase context length, Evo 2 processes over 9 trillion nucleotides from diverse eukaryotic and prokaryotic genomes. This extensive training enables Evo 2 to perform zero-shot function prediction across multiple biological modalities, including DNA, RNA, and proteins, and to generate novel sequences with plausible genomic architecture. The model's capabilities have been demonstrated in tasks such as designing functional CRISPR systems and predicting disease-causing mutations in human genes. Evo 2 is publicly accessible via Arc's GitHub repository and is integrated into the NVIDIA BioNeMo framework. -
37
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 -
38
Recursion
Recursion
Recursion is a TechBio company focused on transforming drug discovery by combining biology, data, and artificial intelligence. Founded over a decade ago, the company pioneered the use of large-scale cellular imaging to train AI models that decode the biological drivers of disease. Recursion’s mission is to deliver better medicines through novel insights and precision design, reducing the high failure rates of traditional drug development. Its proprietary Recursion OS platform integrates massive biological datasets with machine learning to accelerate discovery from target identification to clinical development. The company has built an advanced pipeline of potential first-in-class and best-in-class therapies targeting aggressive cancers and rare diseases. Automated wet labs and robotics enable millions of experiments per week, feeding continuous learning into its AI models. -
39
NVIDIA Clara
NVIDIA
Clara’s domain-specific tools, AI pre-trained models, and accelerated applications are enabling AI breakthroughs in numerous fields, including medical devices, imaging, drug discovery, and genomics. Explore the end-to-end pipeline of medical device development and deployment with the Holoscan platform. Build containerized AI apps with the Holoscan SDK and MONAI, and streamline deployment in next-generation AI devices with the NVIDIA IGX developer kits. The NVIDIA Holoscan SDK includes healthcare-specific acceleration libraries, pre-trained AI models, and reference applications for computational medical devices. -
40
Aspen Unscrambler
Aspen Technology
Industry-leading tool for modeling, prediction and optimization using multivariate statistical analysis and interactive visualizations. Develop products faster, improve quality and optimize processes by analyzing large, data sets easier than ever. Get faster, better answers to real-world problems by analyzing all types of data to optimize product development, quality and manufacturing processes. Leverage multivariate statistical analysis methods with unique capabilities for spectroscopy and chemometrics. Import material, sensor, process and spectral data in all the formats you need with features for easy plotting, preprocessing and modeling of spectral data. Provides better classification of products to deliver consistent product quality. Work smarter and streamline all phases of the analytical process with project-based workflows. Leverage compliance mode, digital signatures, passwords and audit trails to remain compliant with 21 CFR Part 11, EU Annex 11 and other regulations. -
41
3decision
Discngine
3decision® is a cloud-based protein structure repository designed for comprehensive structural data management and advanced analytics, enabling small molecule and biologics discovery teams to accelerate structure-based drug design. It centralizes and standardizes experimental and in-silico protein structures from public sources like RCSB PDB and AlphaFoldDB, as well as proprietary data, supporting formats like PDBx/mmCIF and ModelCIF. This ensures easy access to X-Ray, NMR, cryo-EM, and modeled structures, fostering collaboration and enhancing research efforts. Beyond storage, 3decision® enriches entries with metadata and sequence information, including protein-ligand interactions, antibody annotations, and binding site details. Advanced analytical tools identify druggable sites, assess off-target risks, and enable binding site comparisons, transforming vast structural data into actionable knowledge. Its cloud-based platform facilitates collaboration among research teams. -
42
LiveDesign
Schrödinger
LiveDesign is an enterprise informatics platform that enables teams to rapidly advance drug discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting in a centralized platform. Capture ideas alongside experimental and modeling data. Create and store new virtual compounds in a centralized database, evaluate through advanced models, and prioritize new designs. Integrate biological data and model results across federated corporate databases, apply sophisticated cheminformatics to analyze all data at once, and progress compounds faster. Drive predictions and designs using advanced physics-based methods paired with machine learning techniques to rapidly improve prediction accuracy. Work together with remote team members in real-time. Share ideas, test, revise, and advance chemical series without losing track of your work. -
43
TabFM
Google
TabFM is a zero-shot foundation model for tabular data, designed to simplify classification and regression workflows that traditionally require manual model training, hyperparameter tuning, and domain-specific feature engineering. Built specifically for tables, TabFM reframes tabular prediction as an in-context learning problem: instead of fitting a new supervised model to each dataset, it takes historical training examples and target testing rows together as one unified prompt, then interprets relationships between columns and rows at inference time. Because tables are two-dimensional and orderless, TabFM uses a hybrid architecture that combines alternating row and column attention, row compression, and a dedicated Transformer for in-context learning over compressed row embeddings. This design lets the model capture complex feature interactions and dependencies while keeping prediction computationally efficient for larger datasets.Starting Price: Free -
44
Nygen
Nygen
Nygen is a cloud-based single-cell RNA-seq (scRNA-seq) and multi-omics data analysis and discovery platform designed to let researchers upload, explore, visualize, analyze and interpret complex cellular datasets with an intuitive, no-code interface that supports drag-and-drop workflows and advanced scientific analysis without requiring programming expertise; it combines Nygen Analytics for rapid, reproducible scRNA-seq exploration with collaborative dashboards and publication-ready outputs, Nygen Database for accessing and hosting curated single-cell datasets to accelerate research and comparative studies, and Nygen Insights, an AI-augmented tool that delivers highly accurate cell annotations, in-depth disease impact analysis and tailored biological insights; it supports a wide range of data formats, integrates public data, enables secure cloud-based collaboration, and provides features like literature-linked evidence and biomarker-focused analyses. -
45
BIOiSIM
VERISIMLife
BIOiSIMTM is a first-in-class 'virtual drug development engine' that offers unprecedented value for the drug development industry by narrowing down the number of drug compounds that offer anticipated value for the treatment or cure of specific illnesses or diseases. We offer a range of translational-based solutions, customized for your pre-clinical and clinical programs. These offerings are all centered around our proven and validated BIOiSIMTM platform for small molecules, large molecules, and viruses. Our models are built on data from thousands of compounds across 7 species, leading to robustness rarely seen in the industry. With a focus on human outcomes, the platform has at its core a translatability engine that transforms insights across species. The BIOiSIMTM platform can be used before the preclinical animal trial start, allowing earlier insights and savings in expensive outsourced experimentation. -
46
Symbolica
Symbolica
Extant models are expensive to train, complex to deploy, difficult to validate, and infamously prone to hallucination. Symbolica is redesigning how machines learn from the ground up. We use the powerfully expressive language of category theory to develop models capable of learning algebraic structure. This enables our models to have a robust and structured model of the world; one that is explainable and verifiable. We're aiming to allow developers and end users to understand and specify how and why model outputs were produced. This interpretability and control over model outputs - including the ability to delete proprietary information from the training set - is imperative for mission-critical applications. -
47
Scitara DLX
Scitara
Scitara DLX™ offers a rapid connectivity infrastructure for any instrument in the life science laboratory in a fully compliant and auditable cloud-based platform. Scitara DLX™ is a universal digital data infrastructure that connects any instrument, resource, app and software in the laboratory. The cloud-based, fully auditable platform connects all data sources across the lab, allowing the free flow of data across multiple end points. This allows scientists to devote their time to scientific research, not waste it solving data issues. DLX curates and corrects data in flight to support the development of accurate, properly structured data models that feed AI and ML systems. This supports a successful digital transformation strategy in the pharma and biopharma industries. Unlocking insights from scientific data enables faster decision-making in drug discovery and development, helping bring drugs to market more quickly. -
48
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. -
49
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. -
50
Predictive Suite
Predictive Dynamix
Automated variable selection identifies key variables & variable interactions. Insightful visualization of data and model dynamics. Execution of batch commands. SQL queries and dataset browsing. Pre & post-processing for creating variables, constraining outputs, etc. Models easily deployed via ActiveX (i.e., OCX) controls or DLLs. Powerful modeling algorithms include regression, neural networks, self-organizing maps, dynamic clustering, decision trees, fuzzy logic, genetic algorithms. Predictive Dynamix provides computational intelligence software for forecasting, predictive modeling, pattern recognition, classification, and optimization applications, across all industries. Modern neural network technology are powerful computational structure for solving difficult problems involving forecasting and pattern recognition. Multi-layer perceptron neural networks have an architecture that allows multiple coefficients per input variable.
