4 projects
rustmolbpe
A BPE (Byte Pair Encoding) tokenizer for molecular SMILES written in Rust with Python bindings
sdfrust
Fast Rust-based SDF, MOL2, and XYZ molecular structure file parser
pdbrust
High-performance PDB/mmCIF parsing and analysis library with Python bindings
chembl-pdb-linker
Link ChEMBL bioactivity data with PDB structural information
