Upload dataset
Browse files- README.md +63 -0
- jdft2d/test-00000-of-00001.parquet +3 -0
- jdft2d/train-00000-of-00001.parquet +3 -0
README.md
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---
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dataset_info:
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config_name: jdft2d
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features:
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- name: mbid
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dtype: string
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- name: cif_p1
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dtype: string
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- name: cif_symmetrized
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dtype: string
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- name: zmatrix
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dtype: string
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- name: atom_sequences
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dtype: string
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- name: atom_sequences_plusplus
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dtype: string
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- name: local_env
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dtype: string
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- name: composition
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dtype: string
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- name: slices
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dtype: string
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- name: crystal_text_llm
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dtype: string
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- name: composition_energy
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dtype: float64
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- name: geometry_energy
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dtype: float64
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- name: composition_energy_normalized
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dtype: float64
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- name: geometry_energy_normalized
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dtype: float64
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- name: total_energy_alpha_0
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dtype: float64
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- name: total_energy_alpha_0.2
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dtype: float64
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- name: total_energy_alpha_0.4
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dtype: float64
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- name: total_energy_alpha_0.5
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dtype: float64
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- name: total_energy_alpha_0.6
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dtype: float64
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- name: total_energy_alpha_0.8
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dtype: float64
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- name: total_energy_alpha_1
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dtype: float64
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splits:
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- name: train
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num_bytes: 1191716
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num_examples: 507
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- name: test
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num_bytes: 300174
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num_examples: 128
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download_size: 484733
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dataset_size: 1491890
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configs:
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- config_name: jdft2d
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data_files:
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- split: train
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path: jdft2d/train-*
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- split: test
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path: jdft2d/test-*
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---
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jdft2d/test-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:77418ac9a8bcf8d4abadf317f73369a79c8235c2c1ee8730f24d85f7653b64aa
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size 110946
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jdft2d/train-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:8ffd270f4d3e9e72dd0a39856cad0a2db3963df339cb3a264b529cf80da302f5
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size 373787
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