pinder-org/pinder

Protein Ligand INteraction Dataset and Evaluation Resource

Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)

A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)

Implementation of Alphafold 3 from Google Deepmind in Pytorch

A Curated List of Computational Biology Datasets Suitable for Machine Learning

The official implementation of the NeurIPS'23 paper ProteinInvBench: Benchmarking Protein Design on Diverse Tasks, Models, and Metrics

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

Official repository for the ProteinGym benchmarks

AlphaFold 3 inference pipeline.