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ColabFit
university
https://colabfit.org/
colabfit
Activity Feed
Follow
14
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
Team members
4
colabfit
's datasets
506
Sort: Recently updated
colabfit/JARVIS_DFT_3D_12_12_2022
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Updated
Nov 18, 2025
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77.2k
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190
colabfit/sGDML_Aspirin_ccsd_NC2018_train
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Nov 18, 2025
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997
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41
colabfit/MD22_DHA
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Nov 18, 2025
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69.7k
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45
colabfit/sGDML_Ethanol_ccsdt_NC2018_test
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Nov 18, 2025
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1k
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32
colabfit/CHON_JCP_2020
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Nov 18, 2025
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3.78k
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40
colabfit/JARVIS_MEGNet
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Nov 18, 2025
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69.2k
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78
colabfit/defected_phosphorene_ACS_2023
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Nov 18, 2025
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5.09k
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colabfit/flexible_molecules_JCP2021
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Nov 18, 2025
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138k
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68
colabfit/sGDML_Toluene_ccsdt_NC2018_train
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Nov 18, 2025
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1k
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26
colabfit/MD22_double_walled_nanotube
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Nov 18, 2025
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5.03k
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colabfit/JARVIS_AGRA_O
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Nov 18, 2025
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1k
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colabfit/sGDML_Benzene_ccsdt_NC2018_train
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Nov 18, 2025
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1k
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colabfit/sGDML_Malonaldehyde_ccsdt_NC2018_train
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Nov 18, 2025
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1k
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25
colabfit/sGDML_Ethanol_ccsdt_NC2018_train
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Nov 18, 2025
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999
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27
colabfit/JARVIS_AGRA_OH
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Nov 18, 2025
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1.76k
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30
colabfit/oxygen-vacancy_defects_in_Cu2O_111_
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Nov 18, 2025
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1.72k
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18
colabfit/LiTiO_Science_2020
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Nov 18, 2025
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1.79k
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20
colabfit/DAS_MLIP_CoSb_MgSb
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Nov 18, 2025
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1.7k
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182
colabfit/HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_train
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Nov 18, 2025
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825
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30
colabfit/water_ice_NEP_2023
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Nov 18, 2025
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815
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20
colabfit/JARVIS_TinNet_OH
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Nov 18, 2025
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749
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36
colabfit/JARVIS_TinNet_O
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Nov 18, 2025
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748
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25
colabfit/HO_LiMoNiTi_NPJCM_2020_bulk_water_train_test
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Nov 18, 2025
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701
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27
colabfit/BOTnet_ACAC_2022_test_600K_MD
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Nov 18, 2025
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651
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22
colabfit/BOTnet_ACAC_2022_test_300K_MD
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Nov 18, 2025
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651
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35
colabfit/MISPR
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Nov 18, 2025
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1.01k
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29
colabfit/sGDML_Toluene_ccsdt_NC2018_test
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Nov 18, 2025
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502
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21
colabfit/sGDML_Malonaldehyde_ccsdt_NC2018_test
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Nov 18, 2025
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501
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23
colabfit/BOTnet_ACAC_2022_train_600K_MD
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Nov 18, 2025
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501
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25
colabfit/sGDML_Aspirin_ccsd_NC2018_test
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Nov 18, 2025
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501
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27
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