A set of molecular docking tools and analysis
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Updated
Jul 25, 2022 - Jupyter Notebook
A set of molecular docking tools and analysis
PD-1 Targeted Antibody Discovery Using AI Protein Diffusion
ContextShapes Algorithm for rigid-body protein shape matching and docking
Predicting Antibody and ACE2 Affinity for SARS-CoV-2 BA.2.86 with In Silico Protein Modeling and Docking
OPUS-Fold3: a gradient-based protein all-atom folding and docking framework on TensorFlow
VSpipe - A pipeline to carry out virtual screenings
DockGame: Cooperative Games for Multimeric Rigid Protein Docking
Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking
Protein-Protein Docking using Genetic Algorithm
Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
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