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interatomic potential

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colabfit/mlearn_Li_train

Viewer • Updated Oct 16, 2025 • 488 • 1

colabfit/mlearn_Mo_train

Viewer • Updated Oct 16, 2025 • 394 • 1

colabfit/mlearn_Ni_train

Viewer • Updated Oct 16, 2025 • 532 • 1

colabfit/mlearn_Si_test

Viewer • Updated Oct 16, 2025 • 55 • 2

colabfit/mlearn_Si_train

Viewer • Updated Oct 16, 2025 • 434 • 2

colabfit/pure_magnesium_DFT_PRM2020

Viewer • Updated Nov 18, 2025 • 819 • 2

colabfit/reactive_hydrogen_ACS_2023

Viewer • Updated Nov 18, 2025 • 6.83k • 3

colabfit/reduced-perovskite_and_oxidized-marokite_oxides

Viewer • Updated Nov 18, 2025 • 5.84k • 4

colabfit/sGDML_Aspirin_ccsd_NC2018_test

Viewer • Updated Nov 18, 2025 • 501 • 1

colabfit/sGDML_Aspirin_ccsd_NC2018_train

Viewer • Updated Nov 18, 2025 • 997 • 1

colabfit/sGDML_Benzene_DFT_NC2018

Viewer • Updated Nov 18, 2025 • 49.9k • 3

colabfit/sGDML_Benzene_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 501 • 3

colabfit/sGDML_Ethanol_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 1k • 3

colabfit/sGDML_Ethanol_ccsdt_NC2018_train

Viewer • Updated Nov 18, 2025 • 999 • 1

colabfit/sGDML_Malonaldehyde_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 501 • 1

colabfit/sGDML_Toluene_ccsdt_NC2018_test

Viewer • Updated Nov 18, 2025 • 502 • 3

colabfit/sGDML_Toluene_ccsdt_NC2018_train

Viewer • Updated Nov 18, 2025 • 1k • 4

colabfit/solute_strengthening_of_prism_edge_locations_in_Mg_alloys

Viewer • Updated Nov 18, 2025 • 156 • 1

colabfit/water_ice_JCP_2020

Viewer • Updated Nov 18, 2025 • 16.8k • 3

colabfit/water_ice_NEP_2023

Viewer • Updated Nov 18, 2025 • 815 • 3

colabfit/water_ice_PNAS_2021

Viewer • Updated Nov 18, 2025 • 7.73k • 2

colabfit/xxMD-CASSCF_test

Viewer • Updated Nov 18, 2025 • 86.8k • 1

colabfit/xxMD-DFT_train

Viewer • Updated Nov 18, 2025 • 86.8k • 1

colabfit/23-Single-Element-DNPs_RSCDD_2023-Au

Viewer • Updated Oct 16, 2025 • 7.19k • 3

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ge

Viewer • Updated Oct 16, 2025 • 5.71k • 1

colabfit/23-Single-Element-DNPs_RSCDD_2023-Kr

Viewer • Updated Oct 16, 2025 • 5.85k • 1

colabfit/23-Single-Element-DNPs_RSCDD_2023-Li

Viewer • Updated Oct 16, 2025 • 5.07k • 1

colabfit/23-Single-Element-DNPs_RSCDD_2023-Nb

Viewer • Updated Oct 16, 2025 • 6.36k • 1

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pb

Viewer • Updated Oct 16, 2025 • 10.6k • 2

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sr

Viewer • Updated Oct 16, 2025 • 6.2k • 2