Age | Commit message (Collapse) | Author | |
---|---|---|---|
2015-08-13 | OpenBabel can (canonical smiles) instead of inchi as internal identifier to ↵ | Christoph Helma | |
avoid OpenBabel InChi bug. | |||
2015-08-10 | transfer to new git project started | Christoph Helma | |
2012-04-26 | tests removed, URI.accessible? check temporarily removed | Christoph Helma | |
2012-02-08 | toxbank-investigation compatible version | Christoph Helma | |
2012-01-13 | compound added | Christoph Helma | |