richlewis42 / scikit-chem

Completed

Push — master ( e4a84f...d41f63 )

by Rich

created 2016-06-12 20:24 UTC

Changes

	16 issues (13 minor, 3 informational) were introduced. 13 issues were fixed.
	3 added classes/operations
		B	ChemAxonStandardizer._transform_file() added
		A	ChemAxonStandardizer._transform_mols() added
		A	ChemAxonStandardizer._transform_smis() added
A	↘	D	ChemAxonStandardizer._transform_ser() got worse
A	↘	B	ChemAxonStandardizer.transform() got worse

9.05

▼ -0.04

Head	Rich Lewis 2016-06-12 21:24 GMT+0100 made atom descriptors take 75 atoms by default
⋮	1 more commit
Base	Rich Lewis 2016-06-12 20:21 UTC added first pass at datasets