Datasets from Meta in ColabFit format
ColabFit
university
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
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ColabFit
About
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 • 52 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Al
Viewer • Updated • 5.1k • 58 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag
Viewer • Updated • 7.44k • 58 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer • Updated • 7.19k • 43
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 • 52 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Al
Viewer • Updated • 5.1k • 58 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag
Viewer • Updated • 7.44k • 58 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer • Updated • 7.19k • 43
models 0
None public yet
datasets 478
colabfit/MatPES-R2SCAN-2025.2
Viewer • Updated • 387k • 24
colabfit/MatPES-PBE-2025.2
Viewer • Updated • 433k • 32
colabfit/Open_Direct_Air_Capture_ODAC2025_Val_Filtered
Viewer • Updated • 1.57M • 44
colabfit/Open_Direct_Air_Capture_ODAC2025_Val_Full
Viewer • Updated • 2.59M • 40
colabfit/FeAl-mMTP-Verification
Viewer • Updated • 337 • 31
colabfit/FeAl-mMTP-Training
Viewer • Updated • 2.01k • 37
colabfit/FeAl-mMTP-MagneticForces
Viewer • Updated • 2.63k • 31
colabfit/CrN-mMTP-Paramagnetic-ActiveLearning
Viewer • Updated • 2.35k • 37
colabfit/MP-ALOE
Viewer • Updated • 910k • 44
colabfit/OPoly26-train
Viewer • Updated • 6.11M • 85