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openforcefield / cmiles

Generate canonical molecule identifiers for quantum chemistry database
https://cmiles.readthedocs.io
MIT License
23 stars 7 forks source link

Update test files for RDKit 2020.09.3 #53

Closed mattwthompson closed 3 years ago

mattwthompson commented 3 years ago

Description

This PR updates reference files used in testing for RDKit's recent bump to 2020.09.3. This resolves #52. Tests are passing locally.

mattwthompson commented 3 years ago

I don't think this justifies a release