The Chemistry Development Kit
A project (and object) for storing, manipulating, and converting molecular mechanics data.
A dependency-free cross-platform swiss army knife for PDB files.
A comprehensive library for computational molecular biology
Some useful RDKit functions
Official git repository for Biopython (originally converted from CVS)
A Python library for structural cheminformatics
macromolecular crystallography library and utilities
The modern C++ library for sequence analysis. Contains version 3 of the library and API docs.
bedtools - the swiss army knife for genome arithmetic
Source code for molecular graphics program UCSF ChimeraX
Molecular Processing Made Easy.
Periodic table, physical constants, and molecule parsing for quantum chemistry.
PDBFixer fixes problems in PDB files
Parsers and algorithms for computational chemistry logfiles
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
ChEMBL database structure pipelines
Web-based molecule sketcher
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
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