rdkit/rdkit: 2021_09_3 (Q3 2021) Release

Release_2021.09.3

(Changes relative to Release_2021.09.2)

Jacob Gora, Gareth Jones, Brian Kelley, Ricardo Rodriguez-Schmidt, Paolo Tosco, Kazuya Ujihara, Riccardo Vianello

• handle sqlalchemy deprecation (github #4625 from greglandrum)
• fix parsing beyond the end of the input string in findMCSsmiles (github #4636 from rvianello)
• Mem leak fixes (github #4637 from ricrogz)
• Subsequent call to rdChemReactions.ChemicalReaction.RunReactants will block indefinitely. (github #4651 from goraj)
• Fix docstring of ConstrainedEmbed (github #4666 from kazuyaujihara)
• [Operational] get windows CI builds working again (github #4672 from greglandrum)
• Molfile SDD records not properly displayed (github #4690 from jones-gareth)
• RGD: fix for cores with MOL block atom lists (github #4695 from jones-gareth)
• RGD align output core to input structure (github #4709 from jones-gareth)
• TorsionFingerprints raises error with S(Cl)F4 group (github #4720 from kazuyaujihara)
• TautomerEnumerator will crash if copied with a callback set (github #4736 from ptosco)
• Update mac CI builds (github #4738 from greglandrum)
• Minor PandasTools cleanup (github #4744 from ptosco)
• Reaction parser fails when CX extensions are present (github #4759 from greglandrum)
• Fixes crashing bug with finalSubstructChecks (github #4782 from greglandrum)
• [Cartridge]: qmol_from_ctab and qmol_from_smiles are sanitizing molecules (github #4787 from greglandrum)