janosh matbench-discovery issues

janosh / matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.

https://matbench-discovery.materialsproject.org

MIT License

110 stars 18 forks source link

issues

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More geo opt metrics

#167 janosh closed 13 hours ago
0
Metrics units as YAML comments

#166 janosh closed 3 days ago
0
Fix GRACE-2L typos

#165 yury-lysogorskiy closed 4 days ago
0
Grace (fix typos)

#164 yury-lysogorskiy closed 4 days ago
2
Why is the SchNet model not included in that list?

#162 Asif-Iqbal-Bhatti closed 5 days ago
0
Document new force field submission requirement to record and upload structure relaxations

#161 janosh closed 5 days ago
0
GRACE-2L_r6

#160 yury-lysogorskiy closed 5 days ago
1
Fix markdown to HTML conversion of model notes

#159 janosh closed 1 week ago
0
Preliminary `GeoOptMetricsTable.svelte`

#157 janosh closed 2 weeks ago
0
Swap `pandas`-generated metrics tables for fully-dynamic Svelte `DiscoveryMetricsTable`

#156 janosh closed 3 weeks ago
0
add paper urls for Orb Technical report

#155 DeNeutoy closed 3 weeks ago
0
Fixes to Figures for Updated Manuscript

#154 CompRhys closed 2 weeks ago
6
In the cumulative recall point the final points aren't shown.

#153 CompRhys closed 3 weeks ago
0
ML-relaxed structure analysis

#152 janosh closed 3 weeks ago
0
Add `calc_energy_from_e_refs` utility function

#151 janosh closed 1 month ago
0
Expand benchmark to thermal conductivity prediction

#150 janosh closed 3 weeks ago
0
Indicate direct vs conservative force/stress models in targets column of metrics table

#149 janosh closed 1 month ago
0
Schema tweaks for model metadata

#148 janosh closed 1 month ago
0
update orb models to v2

#147 DeNeutoy closed 1 month ago
1
Add fairchem EquiformerV2 models

#146 lbluque closed 1 month ago
0
Unpinned Pymatviz causes backward incompatability issues

#145 DeNeutoy closed 3 weeks ago
6
[pre-commit.ci] pre-commit autoupdate

#144 pre-commit-ci[bot] closed 1 month ago
0
Metrics table column tooltips

#143 janosh closed 1 month ago
0
Question on reproducing the results

#141 anyangml closed 2 months ago
1
`slurm_submit` add kwarg `submit_as_temp_file: bool = True`

#140 janosh closed 2 months ago
0
WBM filtering fails assert on entries_old_corr

#139 jackwebersdgr opened 2 months ago
3
Fix model detail pages for models with array of training sets and non-string notes in YAML metadata

#138 janosh closed 2 months ago
0
Move element-projected convex hull distance errors to model detail pages

#137 janosh closed 2 months ago
0
Show single-model energy parity plots on model detail pages

#136 janosh closed 2 months ago
0
Add metrics table download buttons

#135 janosh closed 2 months ago
0
Refactor model preds loading to use new required `pred_col` key in YAML metadata files

#134 janosh closed 2 months ago
0
Orb models

#133 DeNeutoy closed 3 months ago
0
Allow multiple training sets per model in YAML metadata

#132 CompRhys closed 3 months ago
0
Update some of the data files

#131 CompRhys opened 3 months ago
0
Restore MPTrj EDA to working order

#130 CompRhys closed 2 months ago
1
Correct batch_size of SevenNet-0

#129 YutackPark closed 3 months ago
1
Fix `scripts/model_figs/per_element_errors.py`

#128 CompRhys closed 3 months ago
0
Test more plotting scripts in CI

#127 janosh closed 3 months ago
0
Add individual model detail pages

#126 janosh closed 3 months ago
2
Look at adding RMSD as a metric.

#125 CompRhys closed 3 weeks ago
5
Improper sorting on "Model Params"

#124 Andrew-S-Rosen closed 3 months ago
1
Working save trajectory code with energies also being saved for test mace.

#123 CompRhys closed 3 months ago
0
Type hint optimizer and filter in `test_mace` and `test_7net` correctly, fix pickled `PatchedPhaseDiagram` and `compile_wbm_test_set.py`

#122 CompRhys closed 3 months ago
0
`data/wbm/compile_wbm_test_set.py`: various errors

#121 pbenner closed 3 months ago
2
`data.py` add `ase_atoms_(to|from)_zip`

#120 janosh closed 3 months ago
0
Test `mace_mp_0b`

#119 janosh closed 4 months ago
0
fix: styled_html_tag -> html_tag

#118 CompRhys closed 4 months ago
0
Update the function names for wren utils given breaking changes in Aviary

#117 CompRhys closed 4 months ago
0
Update table caption for landing page

#116 CompRhys closed 4 months ago
0
Add `n_estimators` to `model_metadata.yml`

#115 janosh closed 4 months ago
0