google-deepmind /AlphaFold2
Open source code for AlphaFold 2.
Proteins · Structure prediction
★ 14.9k · Updated 6mo ago · Apache · Curieus
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1,918
google-deepmind /AlphaFold3
AlphaFold 3 inference pipeline.
Proteins · Structure prediction
★ 8.7k · Updated 2d ago · Apache
jwohlwend /Boltz-1
Biomolecular interaction prediction
Proteins · Structure prediction
★ 4.3k · Updated 5mo ago · MIT · Curieus
ArcInstitute /Evo 2
Genome modeling and design
Nucleic acids · Molecule generation
★ 4.2k · Updated 4mo ago · Apache
Protein language model
Proteins · Representation learning
★ 4.2k · Updated 2y ago · MIT
Protein language model
Proteins · Representation learning
★ 4.2k · Updated 2y ago · MIT
Protein language model
Proteins · Representation learning
★ 4.2k · Updated 2y ago · MIT · Curieus
Protein language model
Proteins · Representation learning
★ 4.2k · Updated 2y ago · MIT
Protein sequence language modeling
Proteins · Representation learning
★ 4.2k · Updated 2y ago · MIT
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
Proteins · Molecule generationI/O not stated
★ 4.2k · Updated 2y ago · MIT
aqlaboratory /OpenFold
Protein structure prediction
Proteins · Structure prediction
★ 3.4k · Updated 10mo ago · Apache
RosettaCommons /RFdiffusion
Code for running RFdiffusion
Proteins · Molecule generationI/O not stated
★ 3.1k · Updated 3mo ago · BSD-3
evolutionaryscale /ESM3
No description
Proteins · Representation learning
★ 3.0k · Updated 8d ago · MIT
sokrypton /ColabFold
Protein structure prediction
Proteins · Structure prediction
★ 3.0k · Updated 4d ago · MIT
huawei-noah /HEBO
Bayesian optimisation & Reinforcement Learning library developed by Huawei Noah's Ark Lab
Small molecules · Molecule generationI/O not stated
★ 2.8k · Updated 8mo ago · Licence unknown
chemprop /Chemprop
Molecular property prediction via message passing
Small molecules · Property · evaluation
★ 2.5k · Updated 8w ago · MIT
RosettaCommons /RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
Proteins · Structure prediction
★ 2.3k · Updated 2y ago · MIT
RosettaCommons /Hallucinating protein assemblies
This package contains deep learning models and related scripts for RoseTTAFold
Proteins · Molecule generationI/O not stated
★ 2.3k · Updated 2y ago · MIT
facebookresearch /fairchem
FAIR Chemistry's library of machine learning methods for chemistry
Dynamics · physics · Dynamics · simulationI/O not stated
★ 2.3k · Updated 5w ago · MIT
FAIR-Chem /fairchem
FAIR Chemistry's library of machine learning methods for chemistry
Dynamics · physics · Dynamics · simulationI/O not stated
★ 2.3k · Updated 5w ago · MIT
deepmodeling /DPA4
Deep learning many-body potential molecular dynamics
Dynamics · physics · Dynamics · simulation
★ 2.1k · Updated 2d ago · LGPL-3
chaidiscovery /Chai-1
Biomolecular structure prediction
Proteins · Structure prediction
★ 2.0k · Updated 2d ago · Apache · Curieus
dauparas /ProteinMPNN
Code for the ProteinMPNN paper
Proteins · Sequence design
★ 1.9k · Updated 2y ago · MIT · Curieus
Controllable conditional sequence generation
Proteins · Representation learning
★ 1.9k · Updated 1y ago · BSD-3
YosefLab /scVI
Deep probabilistic single-cell/spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
YosefLab /scANVI
Probabilistic single-cell and spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
YosefLab /gimVI
Single-cell and spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
scverse /MultiVI
Single-cell and spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
YosefLab /TotalVI
Single-cell and spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
scverse /DestVI
Probabilistic single-cell and spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
scverse /scVI
Deep probabilistic single-cell/spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
scverse /totalVI
Single-cell and spatial omics analysis
Cells · omics · Omics analysis
★ 1.7k · Updated 6w ago · BSD-3
bowang-lab /scGPT
No description
Cells · omics · Omics analysis
★ 1.6k · Updated 6mo ago · MIT
gcorso /DiffDock
Diffusion-based molecular docking
Complexes · interfaces · Docking · interactions
★ 1.6k · Updated 1y ago · MIT · Curieus
evo-design /Evo
Biological foundation model across scales
Nucleic acids · Molecule generation
★ 1.6k · Updated 7mo ago · Apache
ACEsuit /MACE
Machine-learned interatomic potential
Dynamics · physics · Dynamics · simulation
★ 1.4k · Updated 2d ago · MIT
ACEsuit /MACE-OFF
Machine-learned interatomic potential
Small molecules · Dynamics · simulation
★ 1.4k · Updated 2d ago · MIT
agemagician /ProtTrans (ProtBert, ProtT5)
Protein language model pretraining
Proteins · Representation learning
★ 1.3k · Updated 1y ago · MIT
agemagician /ProtTrans
ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
Proteins · Representation learningI/O not stated
★ 1.3k · Updated 1y ago · MIT
martinpacesa /BindCraft
Protein binder design
Proteins · Structure generation
★ 1.3k · Updated 5w ago · MIT
Profluent-AI /OpenCRISPR
Gene editing system design
Nucleic acids · Molecule generation
★ 1.2k · Updated 1y ago · Licence unknown
dptech-corp /Uni-Mol
Official Repository for the Uni-Mol Series Methods
Small molecules · Representation learning
★ 1.2k · Updated 1y ago · MIT
PaddlePaddle /PaddleHelix
Biomolecular representation learning platform
Proteins · Representation learning
★ 1.1k · Updated 6mo ago · Licence unknown
molecularsets /moses
Molecular generation model benchmark
Small molecules · Molecule generation
★ 989 · Updated 2y ago · MIT
molecularsets /PCF-VAE
Molecular generation benchmarking platform
Small molecules · Molecule generation
★ 989 · Updated 2y ago · MIT
gnina /Gnina
Deep learning molecular docking
Small molecules · Docking · interactions
★ 974 · Updated 4mo ago · Apache · Curieus
mir-group /NequIP
E(3)-equivariant interatomic potential model
Dynamics · physics · Dynamics · simulation
★ 971 · Updated 10d ago · MIT
sokrypton /ColabDesign
Protein design in Google Colab
Proteins · Structure prediction
★ 949 · Updated 2w ago · Licence unknown