Greg Landrum 58e594baea Bring back USR and USRCAT descriptors (#1417) ...

* backup

* cleanup svn droppings

* update URL to Adrian's repo

2017-05-24 16:37:25 -04:00

..

test_data

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

Wrap

Bring back USR and USRCAT descriptors (#1417)

2017-05-24 16:37:25 -04:00

CMakeLists.txt

Bring back USR and USRCAT descriptors (#1417)

2017-05-24 16:37:25 -04:00

ConnectivityDescriptors.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

ConnectivityDescriptors.h

first pass, using google style

2015-11-14 14:58:11 +01:00

Crippen.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

Crippen.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

Lipinski.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

Lipinski.h

Add feature for #1375 (#1384)

2017-03-28 16:02:21 -04:00

MolDescriptors3D.h

Add some 3D molecular descriptors (#1084)

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

MolDescriptors.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

MolDescriptors.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

MolSurf.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

MolSurf.h

first pass, using google style

2015-11-14 14:58:11 +01:00

MQN.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

MQN.h

first pass, using google style

2015-11-14 14:58:11 +01:00

PBF.cpp

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

PBF.h

Add some 3D molecular descriptors (#1084)

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

PMI.cpp

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

PMI.h

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

Property.cpp

Get this building with RDK_THREADSAFE_SSS OFF

2016-06-22 16:50:22 +02:00

Property.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

RegisterDescriptor.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

test3D.cpp

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

test.cpp

Bring back USR and USRCAT descriptors (#1417)

2017-05-24 16:37:25 -04:00

testPBF.cpp

Add some 3D molecular descriptors (#1084)

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

USRDescriptor.cpp

Bring back USR and USRCAT descriptors (#1417)

2017-05-24 16:37:25 -04:00

USRDescriptor.h

Bring back USR and USRCAT descriptors (#1417)

2017-05-24 16:37:25 -04:00