What's Changed * Random state in feature selection by gbrunin in https://github.com/ppdebreuck/modnet/pull/168 * Bug fix when a list of objects is used as the index of df_featurized. by gbrunin in https://github.com/ppdebreuck/modnet/pull/220 * Added impute_nan from matminer to 2023_all preset. by gbrunin in https://github.com/ppdebreuck/modnet/pull/221 * Fix matbench benchmark.py by naik-aakash in https://github.com/ppdebreuck/modnet/pull/216 * minor doc-string fixes by naik-aakash in https://github.com/ppdebreuck/modnet/pull/223 * fix docstring by VicTrqt in https://github.com/ppdebreuck/modnet/pull/224 * add random_state arg to matbench benchmark by naik-aakash in https://github.com/ppdebreuck/modnet/pull/229 * Modified passing of ga_settings param in matbench_benchmark by kaueltzen in https://github.com/ppdebreuck/modnet/pull/230 * Fix bootstrap fixed random state by ml-evs in https://github.com/ppdebreuck/modnet/pull/232 * Various fixes by VicTrqt in https://github.com/ppdebreuck/modnet/pull/244 * Bundle recent deps updates by ml-evs in https://github.com/ppdebreuck/modnet/pull/233 * Hard and soft voting for `predict` of `EnsembleMODNetModel` by kaueltzen in https://github.com/ppdebreuck/modnet/pull/245
New Contributors * naik-aakash made their first contribution in https://github.com/ppdebreuck/modnet/pull/216 * VicTrqt made their first contribution in https://github.com/ppdebreuck/modnet/pull/224 * kaueltzen made their first contribution in https://github.com/ppdebreuck/modnet/pull/230
What's Changed * fixed bugged conditionals in evaluate() by kyledmiller in https://github.com/ppdebreuck/modnet/pull/210 * Add simple test for evaluate by ml-evs in https://github.com/ppdebreuck/modnet/pull/211
New Contributors * kyledmiller made their first contribution in https://github.com/ppdebreuck/modnet/pull/210
What's Changed * Deprecated `BayesianMODNetModel` and update deps by ml-evs in https://github.com/ppdebreuck/modnet/pull/182 * Fix issue with `fit_preset` invoking fit incorrectly during refit by ml-evs in https://github.com/ppdebreuck/modnet/pull/181 * 3.10 compatibility by ppdebreuck in https://github.com/ppdebreuck/modnet/pull/198 * Improve evaluate (custom loss, ...) by ppdebreuck in https://github.com/ppdebreuck/modnet/pull/194 * Drop Python 3.8 and update other deps by ml-evs in https://github.com/ppdebreuck/modnet/pull/201 * Bump matminer version by ml-evs in https://github.com/ppdebreuck/modnet/pull/199 * Attempt at bumping pymatgen and matminer by ml-evs in https://github.com/ppdebreuck/modnet/pull/203 * Backwards compatibility of test data with pymatgen by ml-evs in https://github.com/ppdebreuck/modnet/pull/206 * Properly handle Bayesian model import failure by ml-evs in https://github.com/ppdebreuck/modnet/pull/207
What's Changed * Fixed refit=0 in FitGenetic, it behaves as before (ensemble of 10 best architecture, ensembled over the `nested `(default 5) folds) * Bump pymatgen from 2023.1.30 to 2023.7.20, compatible with cython 3
0.4.0
Updated benchmarks using MODNet v0.1.12, using genetic algorithm hyperparameter optimization for all tasks.