task-file-io

Official git repository for Biopython (originally converted from CVS)

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

Some useful RDKit functions

A Python library for structural cheminformatics

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

macromolecular crystallography library and utilities

The Chemistry Development Kit

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

A comprehensive library for computational molecular biology

Molecule Validation and Standardization

Tools (written in C using htslib) for manipulating next-generation sequencing data

MoleculeKit: Your favorite molecule manipulation kit

Pysam is a Python package for reading, manipulating, and writing genomics data such as SAM/BAM/CRAM and VCF/BCF files. It's a lightweight wrapper of the HTSlib API, the same one that powers samtools, bcftools, and tabix.

ChEMBL database structure pipelines

Web-based molecule sketcher

Source code for molecular graphics program UCSF ChimeraX

bedtools - the swiss army knife for genome arithmetic

PDBFixer fixes problems in PDB files

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

C library for high-throughput sequencing data formats