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f02834e | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 | schema_version: "0.1"
dataset:
id: OneScience/mp20
name: MP-20
domain: matchem
source_path: matchem/mattergen/mp20
standardized_path: modelscope_standardized/dataset/matchem_MP20/data/MP20
layout:
root: data/MP20
raw_root: data/MP20/raw/mp_20
cache_root: data/MP20/cache/mp_20
splits:
train: 27136
val: 9047
test: 9046
formats:
raw_csv:
required_columns:
- material_id
- formation_energy_per_atom
- dft_band_gap
- pretty_formula
- elements
- cif
- spacegroup_number
- dft_bulk_modulus
- dft_mag_density
mattergen_cache:
required_arrays:
- atomic_numbers.npy
- cell.npy
- num_atoms.npy
- pos.npy
- structure_id.npy
property_files:
- formation_energy_per_atom.json
- dft_band_gap.json
- dft_bulk_modulus.json
- dft_mag_density.json
validation:
script: scripts/validate_mp20.py
command: python scripts/validate_mp20.py --dataset-root data/MP20 --checksum-manifest metadata/sha256_manifest.txt
checksum_manifest: metadata/sha256_manifest.txt
compatible_models:
- id: OneScience/Mattergen
repo_type: model
relation: compatible_model
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