Greg Landrum b50260fa85 update README.md to include fingerprints

2015-04-09 04:21:38 +01:00

..

CMakeLists.txt

- added C++ and Python helpers to retrieve force-field parameters

2014-11-17 05:51:20 +01:00

ForceField.cpp

Code/RDBoost/Exceptions.h moved to Code/RDGeneral

2015-03-16 22:31:48 +01:00

PyForceField.h

- added C++ and Python helpers to retrieve force-field parameters

2014-11-17 05:51:20 +01:00

test_list.py

- added relative DistanceConstraints (i.e., +/- with respect

2013-12-02 19:58:29 +01:00

testConstraints.py

update README.md to include fingerprints

2015-04-09 04:21:38 +01:00