summaryrefslogtreecommitdiff
path: root/lib/physchem.rb
AgeCommit message (Expand)Author
2016-10-12physchem regression, correlation_filter for fingerprintsChristoph Helma
2016-10-07unified interface for prediction algorithmsChristoph Helma
2016-05-07-log10 for regression datasets, test cleanupsChristoph Helma
2016-03-15single tests passChristoph Helma
2016-03-14descriptor testsChristoph Helma
2016-02-28physchem calculation and storage in compoudsChristoph Helma
2016-02-28physchem feature classChristoph Helma