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