rytakahashi

Pinned Repositories

• PoseBench

  Comprehensive benchmarking of protein-ligand structure generation methods (ICML 2024 AI4Science)

  Language:Jupyter Notebook91363

• AutoDock-Vina

  AutoDock Vina

  Language:C++62526298210

• DiffDock

  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

  Language:Python1.1k18231266

• alphafold

  Open source code for AlphaFold 2.

  Language:Python12.9k2308632.3k

• DiffBindFR

  Diffusion model based protein-ligand flexible docking method

  Language:Python9261513

• AlphaFold3

  Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

  Language:Python762266101

• PDB-BRE

  PDB-BRE: a ligand-protein interaction binding residue extractor based on Protein Data Bank

  2110

rytakahashi's Repositories