protein-docking

There are 4 repositories under protein-docking topic.

PaddlePaddle / PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
biocomputing ddi deeplearning dti graph-networks machine-learning molecule-design ppi protein-design protein-docking protein-folding protein-structure-prediction representation-learning rna-structure-prediction self-supervised-learning
Language:Python 787
RosettaCommons / PyRosetta.notebooks
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
pyrosetta google-colab jupyter-notebook protein-design protein-structure-prediction protein-folding protein-docking dna rna-structure-prediction rosetta
Language:Jupyter Notebook 422
lightdock
lightdock / lightdock
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
protein protein-structure protein-protein-interaction protein-docking swarm-intelligence glowworm-swarm-optimization protein-dna-interactions peptides dna docking artificial-intelligence protein-design proteomics structural-biology structural-bioinformatics bioinformatics bioinformatics-tool chemistry molecular-biology molecular-structures
Language:Python 272
ketatam / DiffDock-PP
Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
computational-biology diffusion-models machine-learning protein-docking
Language:Python 166
haddocking / arctic3d
Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
clustering macromolecular-modeling protein-docking utrecht-university data-mining data-retrieval pdbe-s-rest-api
Language:Python 23
gdocking / gdock
Protein-Protein Docking using Genetic Algorithm
protein-docking docking bioinformatics structural-biology computational-biology protein protein-structure protein-protein-interaction structural-bioinformatics genetic-algorithm deap chemistry
Language:Python 14
Shen-Lab / BAL
Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking
bayesian-optimization protein-docking uncertainty-quantification
Language:C++ 13
vsomnath / dockgame
DockGame: Cooperative Games for Multimeric Rigid Protein Docking
cooperative-game diffusion-models game-theory geometric-deep-learning multimeric-docking protein-docking
Language:Python 11
sabifo4 / VSpipe
VSpipe - A pipeline to carry out virtual screenings
pipeline protein-docking virtual-screening
4
thuxugang / opus_fold3
OPUS-Fold3: a gradient-based protein all-atom folding and docking framework on TensorFlow
cryo-em protein-docking protein-folding protein-structure gradient-based-folding
Language:Python 2
colbyford / SARS-CoV-2_BA.2.86_Spike-RBD_Predictions
Predicting Antibody and ACE2 Affinity for SARS-CoV-2 BA.2.86 with In Silico Protein Modeling and Docking
ace2 alphafold2 antibody haddock protein-docking protein-structure sars-cov-2
Language:Mermaid 1
PD-1_Fab_Diffusion
tuplexyz / PD-1_Fab_Diffusion
PD-1 Targeted Antibody Discovery Using AI Protein Diffusion
ai antibody antibody-design bioinformatics cancer computational-biology data-science drug-design drug-discovery high-performance-computing oncology pd-1 protein-docking protein-structure protien-folding evodiff protein-diffusion
Language:Shell 1
zakimjz / ContextShapes
ContextShapes Algorithm for rigid-body protein shape matching and docking
3d-shape-matching context-shapes protein-docking protein-structure
Language:C 1
cbstanley / docking
A set of molecular docking tools and analysis
molecular-docking protein-docking protein-structure-analysis
Language:Jupyter Notebook