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@jvalegre jvalegre released this 09 Feb 17:40
· 197 commits to master since this release
1.4.3
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Learn about vigilant mode.
  • Return metal into RDKit mol object when using the metal_atoms option with CSEARCH-CREST
  • Doubles bonds do not add extra charges in metal complexes when using the automated charge calculation from SMILES
  • Deprotonated SiR3 groups add -1 charge to metal complexes when using the automated charge calculation from SMILES
Assets 2