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A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dictionary, uses RDKit

Python 75 12 Updated Oct 15, 2025

Calculation of interatomic interactions in molecular structures

Python 119 24 Updated Sep 3, 2024

macromolecular crystallography library and utilities

C++ 317 54 Updated Feb 11, 2026

A collective list of free APIs

Python 397,875 42,554 Updated Nov 4, 2025