cheminformatics topic
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
cdk
The Chemistry Development Kit
asciiMol
Curses based ASCII molecule viewer for terminals.
chembl_webresource_client
Official Python client for accessing ChEMBL API
PubChemPy
Python wrapper for the PubChem PUG REST API.
Indigo
Universal cheminformatics toolkit, utilities and database search tools
Kekule.js
A Javascript cheminformatics toolkit.
atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
ASE_ANI
ANI-1 neural net potential with python interface (ASE)
galaxytools
:microscope::books: Galaxy Tool wrappers