Datasets from Meta in ColabFit format
ColabFit
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Development of data-driven interatomic potentials (DDIP/MLIP)
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ColabFit
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ColabFit curates first principles datasets for training data-driven interatomic potentials based on machine learning.
To conveniently search datasets by author, description, species/element content and more, visit the ColabFit Exchange.
To suggest a dataset for inclusion in ColabFit, use the form on our GitHub page.
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Datasets from "23 Single-Element DNPs" in ColabFit format
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colabfit/23-Single-Element-DNPs_all_trajectories
Viewer • Updated • 109k • 16 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Al
Viewer • Updated • 5.1k • 19 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag
Viewer • Updated • 7.44k • 15 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer • Updated • 7.19k • 13
Datasets from Meta in ColabFit format
Datasets from "23 Single-Element DNPs" in ColabFit format
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colabfit/23-Single-Element-DNPs_all_trajectories
Viewer • Updated • 109k • 16 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Al
Viewer • Updated • 5.1k • 19 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag
Viewer • Updated • 7.44k • 15 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer • Updated • 7.19k • 13
models
0
None public yet
datasets
465
colabfit/Vector-QM24_DFT_all
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785k
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27
colabfit/Vector-QM24_DFT_uniques
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258k
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23
colabfit/carbon_X
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481
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colabfit/carbon-24_unique_with_enantiomorphs
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4.33k
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46
colabfit/Vector-QM24_DFT_saddles
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51.1k
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26
colabfit/Vector-QM24_DMC
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10.8k
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colabfit/OMol25_train
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65.3M
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colabfit/carbon-24_unique
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12.8k
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colabfit/carbon-enantiomorphs
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160
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colabfit/Alex-MP-20_Polymorph_Split
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675k
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42