This website requires JavaScript.
Explore
Help
Sign In
pub_soft
/
rdkit
Watch
3
Star
0
Fork
0
You've already forked rdkit
mirror of
https://github.com/rdkit/rdkit.git
synced
2026-06-07 22:44:25 +08:00
Code
Issues
Packages
Projects
Releases
Wiki
Activity
Files
0ddfa0014787c51146d84662fc2df64cfafb2daa
rdkit
/
Code
/
GraphMol
/
ForceFieldHelpers
/
UFF
History
Greg Landrum
60a68669da
remove more clang warnings
2013-12-02 04:46:46 +01:00
..
test_data
- Implemented a hack to improve the UFF-generated geometries of 3- and
2013-09-24 14:45:08 +02:00
AtomTyper.cpp
Fixes
:
#61
2013-07-04 18:00:09 +02:00
AtomTyper.h
update copyright statements
2010-09-26 17:04:37 +00:00
Builder.cpp
remove more clang warnings
2013-12-02 04:46:46 +01:00
Builder.h
- I have made MMFF atom typing more robust since I realized that
2013-09-16 12:08:02 +02:00
CMakeLists.txt
Test multi-thread safety for UFF and MMFF94. Both pass
2013-11-20 06:42:27 +01:00
test_list.py
- I have made MMFF atom typing more robust since I realized that
2013-09-16 12:08:02 +02:00
testUFFHelpers.cpp
Test multi-thread safety for UFF and MMFF94. Both pass
2013-11-20 06:42:27 +01:00