CLG68

Pinned Repositories

• DiffPack

  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing

  Language:Python808117

• Uni-Mol

  Official Repository for the Uni-Mol Series Methods

  Language:Python75417178132

• Uni-Core

  an efficient distributed PyTorch framework

  Language:Python12572133

• Uni-Dock

  Uni-Dock: a GPU-accelerated molecular docking program

  Language:C++194126542

• DiffBindFR

  Diffusion model based protein-ligand flexible docking method

  Language:Python9661513

• PSICHIC

  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data

  Language:Jupyter Notebook891911

• FAST

  Fusion models for Atomic and molecular STructures (FAST)

  Language:Python9081430

• DynamicBind

  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model

  Language:Jupyter Notebook21674246

• FABind

  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)

  Language:Python11731716

• KarmaDock

  Language:Python9932513

CLG68's Repositories