CGRtools

github.com/cimm-kzn/cgrtools
Stale52updated 3 years ago
Python
LGPL-3.0

Toolkit for processing molecules, reactions and condensed graphs of reactions. Can be used for chemical standardization, MCS search, tautomers generation with backward compatibility to RDKit and NetworkX.

Sourced from

  • Awesome Cheminformatics — github.com/cimm-kzn/cgrtools
  • GitHub — github.com/cimm-kzn/cgrtools

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