Datasets:
License:
File size: 931 Bytes
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dataset:
id: OneScience/MatPL
name: MatPL
domain: matchem
source_path: matchem/matpl
standardized_path: modelscope_standardized/dataset/matchem_MatPL/data/MatPL
layout:
root: data/MatPL
systems:
- AuAg
- Cu
- HfO2
- LiSiC
formats:
movement:
examples:
- Cu/pwdata/0_300_MOVEMENT
- Cu/pwdata/1_500_MOVEMENT
- Cu/pwdata/valid_movement
extxyz:
examples:
- AuAg/AuAg-5762.xyz
pwmlff_npy:
required_arrays:
- atom_type.npy
- energies.npy
- forces.npy
- image_type.npy
- lattice.npy
- position.npy
validation:
script: scripts/validate_matpl.py
command: python scripts/validate_matpl.py --dataset-root data/MatPL --checksum-manifest metadata/sha256_manifest.txt
checksum_manifest: metadata/sha256_manifest.txt
compatible_models:
- id: OneScience/NEP
repo_type: model
relation: compatible_model
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