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Fix loading
2023-02-07-ppd-mp.pkl.gz
(#26)
* fix fetch_process_wbm_dataset.py after pandas v2 breaking changes * drop pytest-markdown-docs from optional deps * fix double slash in PRED_FILES * bump deps * update docs, DataFiles and matbench_discovery/energy.py with updated (2023-02-07) MP elemental reference energies (closes #23) * update 2022-10-19-wbm-summary.csv formation energies with 2023-02-07 element reference energies compress data/mp/2023-02-07-mp-elemental-reference-entries.json.gz update data/figshare/1.0.0.json file links * pin pandas>=2.0.0 #22 (comment) mark test_load_train_test_no_mock() for mp_computed_structure_entries as very_slow * load_train_test() support loading and caching pickle files (for mp_patched_phase_diagram) change signature from data_names (str | list[str], optional) = 'all' to data_key (str) * rename load_train_test() to load()
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Original file line number | Diff line number | Diff line change |
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@@ -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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