Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)

Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information

Protein-Protein Docking using Genetic Algorithm

Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking

PD-1 Targeted Antibody Discovery Using AI Protein Diffusion

VSpipe - A pipeline to carry out virtual screenings

OPUS-Fold3: a gradient-based protein all-atom folding and docking framework on TensorFlow

Predicting Antibody and ACE2 Affinity for SARS-CoV-2 BA.2.86 with In Silico Protein Modeling and Docking

ContextShapes Algorithm for rigid-body protein shape matching and docking

A set of molecular docking tools and analysis