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sparks-baird
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matbench-genmetrics
Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
https://matbench-genmetrics.readthedocs.io/
MIT License
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Include additional generative models
#83
sp8rks
opened
4 months ago
0
Possible error in how duplicity_rate is calculated
#82
sgbaird
opened
6 months ago
0
Example in installation docs doesn't work
#81
jamesrhester
closed
6 months ago
3
[JOSS review] Initial comments
#80
ml-evs
closed
6 months ago
2
Fix documentation error in Overview section
#79
hasan-sayeed
closed
10 months ago
0
Noticed a small mistake in the documentation
#78
hasan-sayeed
opened
1 year ago
1
add detailed metrics
#74
sgbaird
closed
1 year ago
0
joss manuscript, doc updates
#73
sgbaird
closed
1 year ago
0
Add secret for repository
#72
sgbaird
closed
1 year ago
0
Update ci.yml to have lower python version at 3.8
#71
sgbaird
closed
1 year ago
0
add core namespace (containing matbench_genmetrics) and mp_time_split namespace
#70
sgbaird
closed
1 year ago
0
save and load, equations, and plotting
#69
sgbaird
closed
1 year ago
0
Run matbench-genmetrics with CDVAE
#68
sgbaird
opened
1 year ago
0
Combining metrics (i.e. structures that pass multiple criteria)
#67
sgbaird
opened
1 year ago
0
Workaround for non-unique mappings in mod_petti representation
#66
sgbaird
closed
1 year ago
0
not affiliated directly with Matbench
#65
sgbaird
closed
2 years ago
0
allow for tracking composition and structure metrics independently
#64
sgbaird
opened
2 years ago
0
implementing a leaderboard
#63
sgbaird
opened
2 years ago
5
add colab badge
#62
sgbaird
closed
2 years ago
0
update basic Colab example
#61
sgbaird
closed
2 years ago
1
several places with leftover xtal2png's
#60
sgbaird
closed
2 years ago
0
Convert StructureMatcher inline code to HTML for partial link
#59
janosh
closed
2 years ago
2
Update environment.yml
#58
sgbaird
closed
2 years ago
0
combined compositional and structural validity with precomputed train/test values
#57
sgbaird
closed
2 years ago
0
Add composition to validity metric
#56
sgbaird
closed
2 years ago
0
integration of energy above hull predictor
#55
sgbaird
closed
2 years ago
3
bond-valence calculations as a check for generated crystals
#54
sgbaird
opened
2 years ago
2
touch-up verbosity
#53
sgbaird
closed
2 years ago
0
pull the data loading out of the featurizer to fix bug
#52
sgbaird
closed
2 years ago
0
test the partial failure code
#51
sgbaird
closed
2 years ago
0
Hardcoded tests for fingerprint-based metrics once settled down
#50
sgbaird
opened
2 years ago
0
conda-forge package
#49
sgbaird
closed
2 years ago
3
add link to issue 44 clarifying validity score
#48
sgbaird
closed
2 years ago
0
related papers: recommending materials prior to their discovery
#76
sgbaird
opened
2 years ago
1
implement fingerprint functionality
#47
sgbaird
closed
2 years ago
1
verbosity, nix oxidation state decoration for speed, logging
#46
sgbaird
closed
2 years ago
0
add verbosity back in and remove calculation of oxidation states
#45
sgbaird
closed
2 years ago
0
On the validity score (improving understanding and/or modifications)
#44
sgbaird
opened
2 years ago
4
change to direct download link
#43
sgbaird
closed
2 years ago
0
change to absolute gh link instead of relative
#42
sgbaird
closed
2 years ago
0
matching helper functions (StructureMatcher and CDVAE versions)
#41
sgbaird
closed
2 years ago
0
remove >>> without RHS
#40
sgbaird
closed
2 years ago
0
Consider use of fingerprint distance instead of `StructureMatcher` for comparison between generated and test
#39
sgbaird
closed
2 years ago
7
Maybe rename "Coverage" to "Rediscovery"
#38
sgbaird
opened
2 years ago
6
Merge pull request #36 from sparks-baird/docs
#37
sgbaird
closed
2 years ago
0
doc improvements
#36
sgbaird
closed
2 years ago
0
output is for MPTSMetrics10, mention debug intention
#35
sgbaird
closed
2 years ago
0
badges, buttons, and index page description
#34
sgbaird
closed
2 years ago
0
replace USER with sparks-baird for coveralls
#33
sgbaird
closed
2 years ago
0
sphinx_rtd_theme and various extensions
#32
sgbaird
closed
2 years ago
0
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