ccp4 cif crystallography mmcif molecular-structures mtz pdb-files protein-structure structural-biology

cheminformatics molecular-dynamics-simulation molecular-modeling pdb-files

Materials Science (40%)

bioinformatics computational-biology drug-discovery mol2 molecular-structures molecule molecules pandas-dataframe pdb pdb-files protein-structure

benchmarks bioinformatics comparison mmcif mmtf pdb pdb-files structural-bioinformatics

bioinformatics deep-learning machine-learning pdb pdb-files pdb-parser protein protein-structure structural-biology