task-file-io

A comprehensive library for computational molecular biology

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

The Chemistry Development Kit

macromolecular crystallography library and utilities

Some useful RDKit functions

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

A Python library for structural cheminformatics

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.

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

PDBFixer fixes problems in PDB files

Annotated data.

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

Library for reading and writing chemistry files

C library for high-throughput sequencing data formats

ChEMBL database structure pipelines

Web-based molecule sketcher