Working with molecular structures in pandas DataFrames
WebGL protein viewer
Image-processing software for cryo-electron microscopy
Protein-protein, protein-peptide and protein-DNA docking framework based...
A Python library which allows construction and manipulation of complex m...
P2Rank: Protein-ligand binding site prediction tool based on machine lea...
macromolecular crystallography library and utilities
A data set of 20 million calculated off-equilibrium conformations for or...
SIRIUS is a software for discovering a landscape of de-novo identificati...
Pytorch implementation of the paper "Automatic Chemical Design Using a D...
🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
Analysis of non-covalent interactions in MD trajectories
Web Interface for ChEMBL @ EMBL-EBI