rdkit

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Files

Greg Landrum 9f103a9913 Allow components of the MolStandardize code to be initialized from streams (#2385 )

* Fixes #2383 (tests coming in the next commit)
Minor typo fix
Fixes a "bug" in one of the default transforms

* Adds support for directly providing normalization parameter data
instead of requiring the use of a text file.

* allow fragment removers to be initialized with string data

* remove unicode

* allow the reionizer to be initialized from a stream

2019-04-03 04:48:05 +02:00

DTDs

Remove a bunch of Python2-related warts (#2315 )

2019-03-06 20:43:49 -05:00

MolStandardize

Allow components of the MolStandardize code to be initialized from streams (#2385 )

2019-04-03 04:48:05 +02:00

NCI

change bogus "3D" to "2D" in a test file (#2319 )

2019-03-06 16:06:15 -05:00

Pains

Patch/pains updates (#2272 )