3 results found Sort:

rdk
p2rank rdk
34
252
mit
9
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
pdb java mmcif pymol groovy p2rank docking chimerax proteins binding-sites bioinformatics drug-discovery machine-learning protein-structure virtual-screening molecular-structures computational-biology protein-ligand-docking structural-bioinformatics protein-ligand-interactions
Created 2016-09-25
1,695 commits to develop branch, last one 7 days ago
project-gemmi
gemmi project-gemmi
45
231
mpl-2.0
17
macromolecular crystallography library and utilities
cif mtz ccp4 mmcif pdb-files crystallography protein-structure structural-biology molecular-structures
Created 2017-02-02
4,286 commits to master branch, last one 2 days ago
douweschulte
pdbtbx douweschulte
16
54
mit
3
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
pdb rust atoms mmcif pdb-parser pdbx-files rust-crate scientific crystallography
Created 2020-12-30
501 commits to master branch, last one about a month ago