kjappelbaum/chemnlp-robocrys

--- dataset_info: features: - name: formula dtype: string - name: spg_symbol dtype: string - name: crystal_system dtype: string - name: dimensionality dtype: int64 - name: gga_gga+u_r2scan_energy_above_hull dtype: 'null' - name: gga_gga+u_r2scan_formation_energy_per_atom dtype: 'null' - name: gga_gga+u_energy_above_hull dtype: 'null' - name: gga_gga+u_formation_energy_per_atom dtype: 'null' - name: description dtype: string - name: description_w_bondlengths dtype: string - name: cifstr dtype: string splits: - name: train num_bytes: 785364472 num_examples: 117576 download_size: 185853489 dataset_size: 785364472 --- # Dataset Card for "chemnlp-robocrys" [More Information needed](https://github.com/huggingface/datasets/blob/main/CONTRIBUTING.md#how-to-contribute-to-the-dataset-cards)

原始信息汇总

数据集信息

特征

• formula: 字符串类型
• spg_symbol: 字符串类型
• crystal_system: 字符串类型
• dimensionality: 整数类型 (int64)
• gga_gga+u_r2scan_energy_above_hull: 空类型
• gga_gga+u_r2scan_formation_energy_per_atom: 空类型
• gga_gga+u_energy_above_hull: 空类型
• gga_gga+u_formation_energy_per_atom: 空类型
• description: 字符串类型
• description_w_bondlengths: 字符串类型
• cifstr: 字符串类型

数据分割

• train:
  • 字节数: 785364472
  • 样本数: 117576

数据集大小

• 下载大小: 185853489
• 数据集大小: 785364472