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 • 14 -
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 • 14 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer • Updated • 7.19k • 13
models
0
None public yet
datasets
465
colabfit/Transition1x_train
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16
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colabfit/JARVIS_CFID_3D_8_18_2022
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1
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colabfit/Cu_FHI-aims_NPJCM_2021
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46.4k
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colabfit/NNIP_FeH_PRM_2021
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41.7k
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colabfit/Zeo-1_SD_2022
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12.9k
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colabfit/MD22_AT_AT
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20k
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colabfit/MD22_AT_AT_CG_CG
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10.2k
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colabfit/JARVIS_OMDB
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12.5k
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colabfit/JARVIS_QMOF
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20.4k
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colabfit/AENET_amorphous_LiSi_JCP2021
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