A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
MIT License
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Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.2.10...2.2.11
Published by github-actions[bot] about 2 years ago
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.2.7...2.2.8
Published by github-actions[bot] about 2 years ago
Published by github-actions[bot] about 2 years ago
Published by github-actions[bot] about 2 years ago
Published by github-actions[bot] about 2 years ago
Published by github-actions[bot] over 2 years ago
clarify that target column is optional for val_df by @sgbaird in https://github.com/sparks-baird/mat_discover/pull/87
np.nan_to_num for rmse calculation by @sgbaird in https://github.com/sparks-baird/mat_discover/pull/91
move data files, correct fpaths in example scripts by @sgbaird in https://github.com/sparks-baird/mat_discover/pull/59
Bump plotly from 5.6.0 to 5.7.0 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/69
Bump umap-learn from 0.5.2 to 0.5.3 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/71
Bump myst-parser from 0.17.0 to 0.17.2 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/70
Bump pandas from 1.4.1 to 1.4.2 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/68
Bump sphinx from 4.4.0 to 4.5.0 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/67
Bump matplotlib from 3.5.1 to 3.5.2 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/72
Bump scikit-learn from 1.0.2 to 1.1.0 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/74
Bump plotly from 5.7.0 to 5.8.0 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/73
Bump dill from 0.3.4 to 0.3.5.1 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/77
Bump scikit-learn from 1.1.0 to 1.1.1 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/76
Bump sphinx from 4.5.0 to 5.0.1 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/79
Bump conda-souschef from 2.1.1 to 2.1.2 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/80
Bump scipy from 1.8.0 to 1.8.1 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/75
Revert "Bump sphinx from 4.5.0 to 5.0.1" by @sgbaird in https://github.com/sparks-baird/mat_discover/pull/81
Bump sphinx from 4.5.0 to 5.0.1 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/84
Bump myst-parser from 0.17.2 to 0.18.0 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/83
Bump plotly from 5.8.0 to 5.8.2 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/82
Bump sphinx from 5.0.1 to 5.0.2 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/86
Bump plotly from 5.8.2 to 5.9.0 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/90
Bump pandas from 1.4.2 to 1.4.3 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/88
Bump conda-souschef from 2.1.2 to 2.1.3 by @dependabot in https://github.com/sparks-baird/mat_discover/pull/89
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.2.2...2.2.3
Published by github-actions[bot] over 2 years ago
Published by github-actions[bot] over 2 years ago
Published by github-actions[bot] over 2 years ago
Published by github-actions[bot] over 2 years ago
Published by github-actions[bot] over 2 years ago
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.1.4...2.1.5
Published by github-actions[bot] over 2 years ago
v2.*.*
APIFull Changelog: https://github.com/sparks-baird/mat_discover/compare/2.1.3...2.1.4
Published by github-actions[bot] over 2 years ago
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.1.2...2.1.3
Published by github-actions[bot] over 2 years ago
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.1.1...2.1.2
Published by github-actions[bot] over 2 years ago
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.1.0...2.1.1
Published by github-actions[bot] over 2 years ago
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.0.1...2.1.0
Published by sgbaird almost 3 years ago
fix bugs related to fit
and count_repeats
kwargs within suggest_first_experiment
and suggest_next_experiment
for adaptive design (Adapt
class)
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/2.0.0...2.0.1
Published by github-actions[bot] almost 3 years ago
See the updated documentation for the newly implemented Adapt
class for adaptive design. Various minor API changes (e.g. Discover
attributes) went along with this, not necessarily in a backward-compatible manner.
Full Changelog: https://github.com/sparks-baird/mat_discover/compare/1.4.1...2.0.0
Published by sgbaird almost 3 years ago