Fix loading 2023-02-07-ppd-mp.pkl.gz
#26
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…(2023-02-07) MP elemental reference energies (closes #23)
…element reference energies compress data/mp/2023-02-07-mp-elemental-reference-entries.json.gz update data/figshare/1.0.0.json file links
#22 (comment) mark test_load_train_test_no_mock() for mp_computed_structure_entries as very_slow
…tched_phase_diagram) change signature from data_names (str | list[str], optional) = 'all' to data_key (str)
janosh
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* 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()
janosh
added a commit
that referenced
this pull request
Jun 20, 2023
* 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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Closes #22, closes #23.