6 projects
cclib
parsers and algorithms for computational chemistry
smizip
An implementation of Roger Sayle's SmiZip algorithm for compressing short strings
openbabel
Python interface to the Open Babel chemistry library
partialsmiles
A validating SMILES parser with support for partial SMILES
deepsmiles
DeepSMILES, a SMILES-like syntax suited to machine learning
cinfony
cinfony: a common API to several cheminformatics toolkits