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Greg Landrum 15751b3651 Add multi-threaded versions of some MolStandardize operations (#6909) 
* initial addition of MT support to MolStandardize

* do the other inplace functions

* add mt ops to python wrappers
including tests

* release the GIL

* remove exploratory code added during dev

* make normalizer thread safe

* refactor some repeated code
2023-11-24 18:36:17 -05:00
..
compounds.txt
Squashed commit of the following:
2017-08-08 01:23:49 +02:00
FingerprintGenerators.ipynb
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
MolStandardize.ipynb
Move MolStandardize Tutorial to Docs/Notebooks
2018-10-18 05:33:13 +02:00
RGroupDecomposition-DummyCores.ipynb
R group symmetry (#3565)
2021-01-05 09:27:33 -05:00
RGroupDecomposition-example-lactam.ipynb
Add multi-threaded versions of some MolStandardize operations (#6909)
2023-11-24 18:36:17 -05:00
RGroupDecomposition-GA.ipynb
R group symmetry (#3565)
2021-01-05 09:27:33 -05:00
RGroupDecomposition-GenericCores.ipynb
R group symmetry (#3565)
2021-01-05 09:27:33 -05:00
RGroupDecomposition-MutipleCores.ipynb
R group match any issue (#3767)
2021-03-10 12:56:42 +01:00
RGroupDecomposition-RingSubstitution.ipynb
R group symmetry (#3565)
2021-01-05 09:27:33 -05:00
RGroupDecomposition-StereoChemTest.ipynb
R group symmetry (#3565)
2021-01-05 09:27:33 -05:00
RGroupDecomposition-Tests.ipynb
RGD - a fix for the cubane issue (single target atom matches 2 user R group attachments) (#4002)
2021-05-23 15:16:03 -04:00