Anna Brünisholz 3a8199e4ca Numpy 2 Support (#7531) ...

* facilitate numpy 2.0 support

* so that all tests run smoothly

* not yet ready for this

* w/ casting to bool

* remove formatting changes from this PR

2024-06-19 07:54:50 +02:00

..

AtomAtomSimilarity

Reformat Python code for 2023.03 release (#6294)

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CalcLigRMSD

Reformat Python code for 2023.03 release (#6294)

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ChiralPairs

Fail CI builds on compiler warnings + some fixes (#6675)

2023-09-02 04:38:45 +02:00

ConformerParser

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

Fastcluster

Reformat Python code for 2023.03 release (#6294)

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fraggle

Reformat Python code for 2023.03 release (#6294)

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FreeWilson

Reformat Python code for 2023.03 release (#6294)

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Glare

Reformat Python code for 2023.03 release (#6294)

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IFG

Reformat Python code for 2023.03 release (#6294)

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LEF

Reformat Python code for 2023.03 release (#6294)

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M_Kossner

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

mmpa

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

MolVS

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

NIBRSubstructureFilters

Numpy 2 Support (#7531)

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NP_Score

Reformat Python code for 2023.03 release (#6294)

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PBF

Reformat Python code for 2023.03 release (#6294)

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pzc

Reformat Python code for 2023.03 release (#6294)

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RxnRoleAssignment

Reformat Python code for 2023.03 release (#6294)

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SA_Score

Reformat Python code for 2023.03 release (#6294)

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CMakeLists.txt

option to build Contrib with RDKit added

2014-04-08 09:38:45 +02:00