colabfit/sGDML_Benzene_DFT_NC2018 · Datasets at Hugging Face

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2025-04-16T21:22:14

DS_q9y1aat05u42_0

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2025-04-17T18:06:06

DS_q9y1aat05u42_0

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2025-04-17T18:48:22

DS_q9y1aat05u42_0

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2025-04-16T16:28:45

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2025-04-16T20:43:06

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2025-04-16T18:44:30

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2025-04-16T17:18:32

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2025-04-16T18:30:26

DS_q9y1aat05u42_0

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2025-04-16T16:32:22

DS_q9y1aat05u42_0

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2025-04-16T20:28:37

DS_q9y1aat05u42_0

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2025-04-16T17:08:59

DS_q9y1aat05u42_0

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2025-04-16T22:04:30

DS_q9y1aat05u42_0

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2025-04-16T15:44:13

DS_q9y1aat05u42_0

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2025-04-16T16:50:24

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2025-04-16T21:21:56

DS_q9y1aat05u42_0

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2025-04-16T20:19:21

DS_q9y1aat05u42_0

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2025-04-16T18:28:24

DS_q9y1aat05u42_0

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2025-04-16T18:22:48

DS_q9y1aat05u42_0

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2025-04-16T18:32:29

DS_q9y1aat05u42_0

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2025-04-16T20:04:36

DS_q9y1aat05u42_0

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2025-04-16T18:43:09

DS_q9y1aat05u42_0

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2025-04-16T20:59:49

DS_q9y1aat05u42_0

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2025-04-16T18:40:35

DS_q9y1aat05u42_0

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2025-04-16T15:43:17

DS_q9y1aat05u42_0

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2025-04-16T20:47:45

DS_q9y1aat05u42_0

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DS_q9y1aat05u42_0

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2025-04-16T16:04:50

DS_q9y1aat05u42_0

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DS_q9y1aat05u42_0

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2025-04-16T20:52:54

DS_q9y1aat05u42_0

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2025-04-16T21:27:46

DS_q9y1aat05u42_0

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2025-04-16T15:41:29

DS_q9y1aat05u42_0

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Datasets:

colabfit
/

sGDML_Benzene_DFT_NC2018

Cite this dataset
Chmiela, S., Sauceda, H. E., Müller, K., and Tkatchenko, A. sGDML Benzene DFT NC2018. ColabFit, 2023. https://doi.org/10.60732/18404d62

This dataset has been curated and formatted for the ColabFit Exchange

This dataset is also available on the ColabFit Exchange:

Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.

Dataset Name

Description

Dataset authors

Publication

Original data link

License

Number of unique molecular configurations

Number of atoms

Elements included

Properties included

Usage

ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:

Collection including colabfit/sGDML_Benzene_DFT_NC2018

sGDML -- ColabFit

Cite this dataset Chmiela, S., Sauceda, H. E., Müller, K., and Tkatchenko, A. sGDML Benzene DFT NC2018. ColabFit, 2023. https://doi.org/10.60732/18404d62

This dataset has been curated and formatted for the ColabFit Exchange

This dataset is also available on the ColabFit Exchange:

Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.

Dataset Name

Description

Dataset authors

Publication

Original data link

License

Number of unique molecular configurations

Number of atoms

Elements included

Properties included

Usage

ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:

Collection including colabfit/sGDML_Benzene_DFT_NC2018

Cite this dataset
Chmiela, S., Sauceda, H. E., Müller, K., and Tkatchenko, A. sGDML Benzene DFT NC2018. ColabFit, 2023. https://doi.org/10.60732/18404d62