File size: 713 Bytes
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---
dataset_info:
features:
- name: id
dtype: string
- name: smiles
dtype: string
- name: xyz
dtype: string
- name: mol2000
dtype: string
- name: mol3000
dtype: string
- name: charge
dtype: int64
- name: dft_energy
dtype: float64
- name: xtb1_energy
dtype: float64
splits:
- name: train
num_bytes: 6436401032
num_examples: 1053275
download_size: 2534938845
dataset_size: 6436401032
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
# Dataset Card for "chemnlp-orbnet-denali"
[More Information needed](https://github.com/huggingface/datasets/blob/main/CONTRIBUTING.md#how-to-contribute-to-the-dataset-cards) |