Age | Commit message (Expand) | Author |
---|---|---|
2016-02-13 | improved handling of duplicates in validations | Christoph Helma |
2016-02-09 | pls regression | Christoph Helma |
2015-11-09 | leave one out validation implemented | Christoph Helma |
2015-11-04 | neighbor search delegated to database backend | Christoph Helma |
2015-10-08 | crossvalidation plots, original classification confidence | Christoph Helma |
2015-10-07 | generalised fingerprints | Christoph Helma |
2015-09-23 | validations fixed (all models were executed with default parameters) | Christoph Helma |
2015-09-16 | repeated crossvalidations, improved experiment reports | Christoph Helma |
2015-09-10 | tests fixed (crossvalidations may fail due to memory constraints) | Christoph Helma |
2015-09-09 | fminer classification fixed | Christoph Helma |
2015-08-25 | Experiments added | Christoph Helma |
2015-08-20 | crossvalidation fixesv0.0.7 | Christoph Helma |
2015-08-13 | OpenBabel can (canonical smiles) instead of inchi as internal identifier to a... | Christoph Helma |