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