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colabfit
's Collections
Meta -- MD Simulation Datasets -- ColabFit
23 Single-Element DNPs -- ColabFit
3BPA -- ColabFit
Alex MP-20 -- ColabFit
Alexandria -- ColabFit
amorphous carbon -- ColabFit
ANI-2x -- ColabFit
ANI-Al -- ColabFit
BOTnet -- ColabFit
CA-9 -- ColabFit
Carbon-24 -- Martirossyan et al.
Chig-AIMD -- ColabFit
COLL -- ColabFit
COMP6v2 -- ColabFit
CGM-MLP -- ColabFit
Datasets: All that structure matches does not glitter
DFT-Polymorphs -- ColabFit
Discrepencies and error metrics -- ColabFit
Doped CsPbI3 -- ColabFit
GST GAP 22 -- ColabFit
HEA25 - High Entropy Alloys -- ColabFit
HME21 - High-temperature Multi-Element 2021 -- ColabFit
HO LiMoNiTi -- ColabFit
JARVIS -- ColabFit
LiGePS / LiSiPS SSE PBE -- ColabFit
MAD Massive Atomic Diversity -- ColabFit
MD22 -- ColabFit
Mlearn -- ColabFit
OC20 IS2RES -- Open Catalyst 2020 -- ColabFit
OC20 S2EF -- Open Catalyst 2020-- ColabFit
OC22 -- Open Catalyst 2022-- ColabFit
OMAT24 -- Open Materials 2024 -- ColabFit
OMC25 -- Open Molecular Crystals -- ColabFit
OMol25 -- Open Molecules 2025 -- ColabFit
QM-22 -- ColabFit
SAIT Semiconductors -- ColabFit
sAlex -- ColabFit
sGDML -- ColabFit
Si-Al-Ti Seko, Togo, Tanaka -- ColabFit
SiH-GAP -- ColabFit
Transition1x -- ColabFit
VQM24 -- ColabFit
WS22 -- ColabFit
xxMD -- ColabFit
OMAT24 -- Open Materials 2024 -- ColabFit
updated
Nov 6, 2025
Datasets from Meta's Open Materials 2024 in ColabFit format
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colabfit/OMat24_train_aimd_from_PBE_1000_npt
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colabfit/OMat24_train_aimd_from_PBE_1000_nvt
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colabfit/OMat24_train_aimd_from_PBE_3000_npt
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colabfit/OMat24_train_aimd_from_PBE_3000_nvt
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colabfit/OMat24_train_rattled_300
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colabfit/OMat24_train_rattled_300_subsampled
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colabfit/OMat24_train_rattled_500
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colabfit/OMat24_train_rattled_500_subsampled
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colabfit/OMat24_train_rattled_1000
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colabfit/OMat24_train_rattled_1000_subsampled
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colabfit/OMat24_train_rattled_relax
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colabfit/OMat24_validation_aimd-from-PBE-1000-npt
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colabfit/OMat24_validation_aimd-from-PBE-1000-nvt
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colabfit/OMat24_validation_aimd-from-PBE-3000-npt
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colabfit/OMat24_validation_aimd-from-PBE-3000-nvt
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colabfit/OMat24_validation_rattled_300
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colabfit/OMat24_validation_rattled_300_subsampled
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colabfit/OMat24_validation_rattled_500
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colabfit/OMat24_validation_rattled_500_subsampled
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colabfit/OMat24_validation_rattled_1000
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colabfit/OMat24_validation_rattled_1000_subsampled
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colabfit/OMat24_validation_rattled_relax
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