Related Issues (20)
- Can't kekulize mol due to what appears to be a Boost Error HOT 3
- package rdkit and smile format HOT 8
- No module named 'sanifix4' HOT 7
- Bead division problem HOT 7
- Mismatch between dev branch and refactor branch result HOT 5
- Error run auto_martini HOT 2
- how validate auto_martini itp HOT 1
- Vcclabs website down - is it OK to use rdkit.Chem.Crippen module for ALOGP calculation? HOT 2
- No output file HOT 8
- "Missing parentheses in call to 'print'." HOT 15
- Max. number of attempts: 54517 HOT 1
- VisibleDeprecationWarning
- Improving molecule sanitization HOT 1
- auto_martini as an interoperable component HOT 2
- auto_martini fails 4 tests
- auto_martini doesn't work for silica coarse graining HOT 1
- The CG model for ethanol is different from the original paper HOT 1
- martini3 HOT 3
- ALOGPS can't predict fragment HOT 2
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from auto_martini.