ChemFM
Research AI model / method · Research code or publication
Chemical foundation model for learned molecular representations, property prediction and conditional mole
Luo Lab
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Research AI model / method · Research code or publication
Chemical foundation model for learned molecular representations, property prediction and conditional mole
Luo Lab
Research AI model / method · Research code or publication
Diffusion-based ligand molecule generation constrained by specified pocket and pharmacophore interactions
Sekijima Lab
Classical/statistical scientific method · Confirm distribution and exact release
Rosetta macromolecular modeling suite — protein-structure-refinement / classical-protein-design
Research / method authors
Open Source Model · Open Source
7-billion parameter long-context genomic transformer predicting and generating whole operons and plasmids
Arc Institute & Stanford University
Open Source Software · Open Source
High-performance molecular dynamics simulation software for biomolecular systems
GROMACS Development Team
Open Source Software · Open Source
High-throughput molecular docking and virtual screening software
Scripps Research Institute
Cloud Platform · Commercial Subscription
The leading cloud platform for life sciences R&D informatics, inventory, and molecular design
Benchling
Python Library · Open Source
The essential, foundational Python toolkit for biological computation
Open Bioinformatics Foundation (OBF)
AI Model · Open Source
Large-scale chemical language foundation model for molecular property prediction
IBM Research
Software Toolkit · Open Source
High-performance GPU toolkit for molecular dynamics simulation and machine learning integration
Stanford University (Pande Lab)
Software Tool · Commercial & Open Source Build
The premier open-source foundation and commercial molecular visualization software
Schrödinger
Scientific Software · Open Source
Empirical Bayesian approach for cryo-EM single-particle structure determination
MRC Laboratory of Molecular Biology (Scheres Lab)
Commercial Software · Commercial License
The gold-standard computational platform combining physics-based modeling and machine learning
Schrödinger
AI Model / Web Server · Open Source & Web Service
All-atom biomolecular structure prediction for proteins, nucleic acids, and small molecules
Baidu PaddleHelix
Research software / framework · Public code / project terms
Learned comparison of protein binding-site structures
BenevolentAI / DeeplyTough authors
Research software / framework · Public code / project terms
Unified molecular featurization for ML workflows
Datamol community
Research software / framework · Public code / project terms
Benchmarking platform for molecular generation models
MOSES authors and contributors
Hardware / instrument · Supplier quotation
Automated cell culture with machine-learning-assisted decisions
Molecular Devices
Research software / model · Public code / project terms
Biomolecular complex structure prediction
Chai Discovery
Commercial research software · Provider account / licence
Commercial AI-assisted small-molecule design
Insilico Medicine
Commercial research software · Provider account / licence
AI-assisted generation and prioritization of small molecules
deepmirror
Research software / model · Public code / project terms
Diffusion-based protein-ligand docking
DiffDock authors and contributors
Research software / model · Public code / project terms
Geometric deep-learning prediction of ligand binding poses
EquiBind authors
Research software / model · Public code / project terms
Molecular docking with convolutional neural-network scoring
GNINA contributors
Hardware / instrument · Supplier quotation
High-content imaging integrated with AI-assisted image analysis
Molecular Devices
Commercial research software · Provider account / licence
AI-assisted analysis of high-content biological images
Molecular Devices
Supporting software · Public code / project terms
Python tooling for cheminformatics and molecular modeling
ODDT contributors
Research software / model · Public code / project terms
Biomolecular structure prediction with a public research implementation
ByteDance / Protenix contributors
Research software / model · Public code / project terms
Generative molecular design and optimization
AstraZeneca / MolecularAI contributors
Research software / model · Public code / project terms
Structure modeling of proteins with molecular partners
Baker laboratory
Research software / model · Public code / project terms
Machine-learning toolbox for molecular graphs and drug research
DeepGraphLearning / TorchDrug contributors
Research software / model · Public code / project terms
Learning molecular representations from three-dimensional conformations
DeepModeling / Uni-Mol contributors
Research software / model · Public code
Message-passing molecular property prediction
Chemprop contributors
Research software / model · Public code and weights
Biomolecular structure and affinity prediction
Boltz contributors
Software / platform · Provider-specific terms
Predict biomolecular structures
Google DeepMind