Age | Commit message (Collapse) | Author | |
---|---|---|---|
2016-03-15 | validation tests pass | Christoph Helma | |
2015-11-04 | neighbor search delegated to database backend | Christoph Helma | |
2015-08-13 | majority of tests working | Christoph Helma | |
2015-08-13 | OpenBabel can (canonical smiles) instead of inchi as internal identifier to ↵ | Christoph Helma | |
avoid OpenBabel InChi bug. |