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Fix loading 2023-02-07-ppd-mp.pkl.gz #26

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merged 9 commits into from
May 3, 2023
Merged

Fix loading 2023-02-07-ppd-mp.pkl.gz #26

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5b61e57
fix fetch_process_wbm_dataset.py after pandas v2 breaking changes
janosh May 1, 2023
a7fb113
drop pytest-markdown-docs from optional deps
janosh May 1, 2023
91ae257
fix double slash in PRED_FILES
janosh May 1, 2023
1acacc6
bump deps
janosh May 1, 2023
06bfc62
update docs, DataFiles and matbench_discovery/energy.py with updated …
janosh May 2, 2023
722e87d
update 2022-10-19-wbm-summary.csv formation energies with 2023-02-07 …
janosh May 3, 2023
1f72b1d
pin pandas>=2.0.0
janosh May 2, 2023
4f2039a
load_train_test() support loading and caching pickle files (for mp_pa…
janosh May 3, 2023
a6fd48c
rename load_train_test() to load()
janosh May 3, 2023
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1 change: 1 addition & 0 deletions .gitignore
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Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,7 @@ data/**/raw
data/**/tsne
data/2022-*
data/m3gnet-*
!data/mp/2023-02-07-mp-elemental-reference-entries.json.gz

# slurm + Weights and Biases logs
wandb/
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4 changes: 2 additions & 2 deletions data/figshare/1.0.0.json
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Original file line number Diff line number Diff line change
@@ -1,10 +1,10 @@
{
"mp_computed_structure_entries": "https://figshare.com/ndownloader/files/40344436",
"mp_elemental_ref_entries": "https://figshare.com/ndownloader/files/40344445",
"mp_elemental_ref_entries": "https://figshare.com/ndownloader/files/40387775",
"mp_energies": "https://figshare.com/ndownloader/files/40344448",
"mp_patched_phase_diagram": "https://figshare.com/ndownloader/files/40344451",
"wbm_computed_structure_entries": "https://figshare.com/ndownloader/files/40344463",
"wbm_initial_structures": "https://figshare.com/ndownloader/files/40344466",
"wbm_cses_plus_init_structs": "https://figshare.com/ndownloader/files/40344469",
"wbm_summary": "https://figshare.com/ndownloader/files/40344475"
"wbm_summary": "https://figshare.com/ndownloader/files/40407575"
}
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