cmiles
Generate canonical molecule identifiers for quantum chemistry
Generate canonical molecule identifiers for quantum chemistry
To install this package, run one of the following:
Summary
Generate canonical molecule identifiers for quantum chemistry
Last Updated
Nov 18, 2020 at 18:56
License
MIT
Supported Platforms
GitHub Repository
https://github.com/openforcefield/cmilesDocumentation
https://cmiles.readthedocs.io/