Matbench-genmetrics

Latest version: v0.6.5

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0.6.1

What's Changed
* Update environment.yml by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/58
* several places with leftover xtal2png's by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/60
* add colab badge by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/62
* Convert StructureMatcher inline code to HTML for partial link by janosh in https://github.com/sparks-baird/matbench-genmetrics/pull/59
* not affiliated directly with Matbench by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/65
* Workaround for non-unique mappings in mod_petti representation by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/66
* save and load, equations, and plotting by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/69
* Update ci.yml to have lower python version at 3.8 by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/71
* add core namespace (containing matbench_genmetrics) and mp_time_split namespace by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/70
* joss manuscript, doc updates by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/73
* add detailed metrics by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/74

New Contributors
* janosh made their first contribution in https://github.com/sparks-baird/matbench-genmetrics/pull/59

**Full Changelog**: https://github.com/sparks-baird/matbench-genmetrics/compare/v0.6.0...v0.6.1

0.6.0

What's Changed
* combined compositional and structural validity with precomputed train/test values by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/57


**Full Changelog**: https://github.com/sparks-baird/matbench-genmetrics/compare/v0.5.2...v0.6.0


What's Changed

Since this is the first release, here are all the changes since v0.1.0:

* add badges by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/11
* custom tqdm aware of Colab and verbose kwarg, rename record fn by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/12
* Non verbose test by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/13
* duplicity property error checking by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/14
* Cleanup notebook by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/15
* recorded_metrics as a dict instead of list by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/16
* remove smact, hydra-core, torch, and torch-geometric by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/17
* divide by 2 was incorrect, fixed normalization by num possible by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/18
* Create matbench_genmetrics_basic.py by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/24
* remove redundant calculations for single set pairwise distances by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/25
* store GenMetrics for each fold by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/26
* remove dangling CDVAE files by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/27
* fix: normalize similarity by num_gen instead of num_test, improve tests by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/28
* add fixed benchmarks (10, 100, 1000, 10000) and update README by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/30
* sphinx_rtd_theme and various extensions by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/32
* replace USER with sparks-baird for coveralls by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/33
* badges, buttons, and index page description by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/34
* output is for MPTSMetrics10, mention debug intention by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/35
* doc improvements by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/36
* Merge pull request 36 from sparks-baird/docs by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/37
* remove >>> without RHS by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/40
* matching helper functions (StructureMatcher and CDVAE versions) by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/41
* change to absolute gh link instead of relative by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/42
* change to direct download link by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/43
* verbosity, nix oxidation state decoration for speed, logging by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/46
* add verbosity back in and remove calculation of oxidation states by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/45
* add link to issue 44 clarifying validity score by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/48
* implement fingerprint functionality by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/47
* test the partial failure code by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/51
* pull the data loading out of the featurizer to fix bug by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/52
* touch-up verbosity by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/53
* combined compositional and structural validity with precomputed train/test values by sgbaird in https://github.com/sparks-baird/matbench-genmetrics/pull/57


**Full Changelog**: https://github.com/sparks-baird/matbench-genmetrics/compare/v0.1.0...v0.6.0

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