task-file-io

A comprehensive library for computational molecular biology

The Chemistry Development Kit

A Python library for structural cheminformatics

Some useful RDKit functions

macromolecular crystallography library and utilities

A project (and object) for storing, manipulating, and converting molecular mechanics data.

A dependency-free cross-platform swiss army knife for PDB files.

Official git repository for Biopython (originally converted from CVS)

The modern C++ library for sequence analysis. Contains version 3 of the library and API docs.

Molecular Processing Made Easy.

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.

Library for reading and writing chemistry files

C library for high-throughput sequencing data formats

Periodic table, physical constants, and molecule parsing for quantum chemistry.

PDBFixer fixes problems in PDB files

bedtools - the swiss army knife for genome arithmetic

Source code for molecular graphics program UCSF ChimeraX

Web-based molecule sketcher

ChEMBL database structure pipelines