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Scandium-Dataset

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materials-screening

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Scandium-Dataset / scripts

313 kB

1 contributor

History: 39 commits

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Upload scripts/audit_reports/phase2_structure_audit.json with huggingface_hub

15582ea verified 13 days ago

audit_reports
Upload scripts/audit_reports/phase2_structure_audit.json with huggingface_hub 13 days ago
audit_dashboard.py

5.67 kB
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audit_investigate_critical.py

4.16 kB
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audit_phase1_raw_data.py

6.71 kB
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audit_phase2_structure.py

8.36 kB
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audit_phase3_property.py

8.62 kB
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audit_phase4_duplicates.py

5.62 kB
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audit_phase5_repair.py

7.05 kB
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audit_phase6_quality.py

7.42 kB
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audit_phase7_scientific.py

9.83 kB
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audit_phase8_metadata.py

6.74 kB
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compute_bvse_barriers.py

10.6 kB
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compute_bvse_parallel.py

8.6 kB
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compute_cavd_channel_dimensionality.py

11.7 kB
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compute_electrochemical_windows.py

17.4 kB
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compute_jarvis_hull_energy.py

7.54 kB
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compute_mechanical_properties.py

9.73 kB
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compute_oxidation_states.py

5.71 kB
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compute_sse_candidate_score.py

8.74 kB
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convert_parquet_typed.py

2.62 kB
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enrich_garnet_family.py

12.2 kB
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extract_commercial_safe_edition.py

6.3 kB
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fix_dataset_v3.py

4.71 kB
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generate_audit_reports.py

40.8 kB
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generate_conductivity_splits.py

10.5 kB
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generate_splits.py

2.2 kB
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integrate_experimental_data.py

17.1 kB
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merge_obelix.py

12 kB
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run_phase1_pipeline.py

4.57 kB
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setup_mlip_infrastructure.py

6.82 kB
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validate_bvse_sanity.py

3.99 kB
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