Some useful RDKit functions
-
Updated
Jun 1, 2026 - Jupyter Notebook
Some useful RDKit functions
Official git repository for Biopython (originally converted from CVS)
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Web-based molecule sketcher
Parameter/topology editor and molecular simulator
The modern C++ library for sequence analysis. Contains version 3 of the library and API docs.
A comprehensive library for computational molecular biology
bedtools - the swiss army knife for genome arithmetic
The Chemistry Development Kit
Tools (written in C using htslib) for manipulating next-generation sequencing data
macromolecular crystallography library and utilities
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.
Molecular Processing Made Easy.
C library for high-throughput sequencing data formats
Library for reading and writing chemistry files
PDBFixer fixes problems in PDB files
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
Add a description, image, and links to the task-file-io topic page so that developers can more easily learn about it.
To associate your repository with the task-file-io topic, visit your repo's landing page and select "manage topics."