rdkit/Code/GraphMol/Descriptors/test_data at 0845573a4560a8caa3f7418b5fb7b26e0cf49572 - rdkit - Gitea: Git with a cup of tea

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gedeck 0845573a45 Script PythonFormat uses yapf to check the formatting of Python files

2016-10-29 17:13:13 -04:00

..

aid466.trunc.sdf

Fixes #351

2014-10-14 01:20:42 +02:00

cyclohexane.mol

implementation of USRCAT descriptor added

2013-08-22 14:56:00 +02:00

linear_2atom.mol

Add some 3D molecular descriptors (#1084 )

2016-10-10 08:34:08 -04:00

linear.mol

Add some 3D molecular descriptors (#1084 )

2016-10-10 08:34:08 -04:00

PBF_egfr.out

Add some 3D molecular descriptors (#1084 )

2016-10-10 08:34:08 -04:00

PBF_egfr.sdf

Add some 3D molecular descriptors (#1084 )

2016-10-10 08:34:08 -04:00

planar_3atom.mol

Add some 3D molecular descriptors (#1084 )

2016-10-10 08:34:08 -04:00

planar.mol

Add some 3D molecular descriptors (#1084 )

2016-10-10 08:34:08 -04:00

PMI_egfr.out

Add some 3D molecular descriptors (#1084 )

2016-10-10 08:34:08 -04:00

pmi.py

Script PythonFormat uses yapf to check the formatting of Python files

2016-10-29 17:13:13 -04:00