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Switching to RDKit for SMILES
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@seamm seamm released this 21 Jun 13:52
· 11 commits to main since this release
2024.6.21
065e582
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GPG key ID: B5690EEEBB952194
Learn about vigilant mode.
  • Using RDKit for SMILES since we found some issues with OpenBabel, and also the atom typing uses RDKit, so this is more compatible.
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