Age | Commit message (Collapse) | Author | |
---|---|---|---|
2018-10-09 | tentative random forest classification: hangs unpredictably during caret ↵mutanew | helma@in-silico.ch | |
model generation/optimization for some (inorganic?) compounds. | |||
2017-03-31 | adjusted classification tests for min sim 0.1 | gebele | |
2017-03-31 | set default min sim to 0.1 for classification and 0.5 for regression | gebele | |
2017-03-24 | adjusted for higher default similarity min value | gebele | |
2016-11-08 | probability plot for classification | Christoph Helma | |
2016-10-27 | probability plot for classification validations | Christoph Helma | |
2016-10-13 | compound tests fixed | Christoph Helma | |