Releases: choderalab/openmoltools
Releases · choderalab/openmoltools
v0.6.4
Merge pull request #93 from kyleabeauchamp/checkbool Raise exception if assign charges fails
0.6.3
Some new amber-related functionality.
0.6.2
Merge pull request #81 from kyleabeauchamp/recipe Switched from hard-coded jenkins / travis detection in tests to nose attribute 'slow'
0.6.1
Merge pull request #80 from kyleabeauchamp/jenkins Skip some tests on jenkins to save time.
0.6
Merge pull request #78 from kyleabeauchamp/travis [WIP] Simplify travis logic
v0.5
Merge pull request #18 from choderalab/delay_import Use delayed import of openeye tools to avoid dependency.