openforcefield / cmiles

Generate canonical molecule identifiers for quantum chemistry database

https://cmiles.readthedocs.io

MIT License

23 stars 7 forks source link

Closed ChayaSt closed 5 years ago

ChayaSt commented 5 years ago

Description

Adds function to generate human readable labeled SMILES

codecov-io commented 5 years ago

Merging #24 into master will increase coverage by 0.15%. The diff coverage is 96%.