kjappelbaum/chemnlp-robocrys
收藏Hugging Face2023-11-02 更新2024-03-04 收录
下载链接：
https://hf-mirror.com/datasets/kjappelbaum/chemnlp-robocrys
下载链接
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资源简介：
---
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)
提供机构：
kjappelbaum
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
