colabfit/mlearn_Mo_test
Viewer • Updated • 51 • 15
Edit Datasets filters
Active filters: mlip
colabfit/mlearn_Ni_test
Viewer • Updated • 67 • 7
colabfit/oxygen-vacancy_defects_in_Cu2O_111_
Viewer • Updated • 1.72k • 4
colabfit/sGDML_Benzene_ccsdt_NC2018_train
Viewer • Updated • 1k • 11
colabfit/sGDML_Malonaldehyde_ccsdt_NC2018_train
Viewer • Updated • 1k • 4
colabfit/stable_and_metastable_phases_in_sputtered_CuInS2
Viewer • Updated • 6.27k • 7
colabfit/tmQM_wB97MV
Viewer • Updated • 86.5k • 8
colabfit/vanadium_in_high_entropy_alloys_AM2020
Viewer • Updated • 476 • 5
colabfit/xxMD-CASSCF_validation
Viewer • Updated • 86.5k • 9
colabfit/xxMD-DFT_test
Viewer • Updated • 43.3k • 7
colabfit/xxMD-DFT_validation
Viewer • Updated • 43.2k • 11
colabfit/water_and_Cu__synergy_in_selective_CO2_hydrogenation_to_methanol_over_Cu_MgO_catalysts
Viewer • Updated • 15k • 12
colabfit/carbon-24_unique_with_enantiomorphs
Viewer • Updated • 4.33k • 8
colabfit/carbon_X
Viewer • Updated • 481 • 8
colabfit/rQM9
Viewer • Updated • 134k • 5 • 1
colabfit/PropMolFlow_QM9_CNOFH_2025
Viewer • Updated • 21.5k • 5 • 1
colabfit/23-Single-Element-DNPs_all_trajectories
Viewer • Updated • 109k • 52
colabfit/AENET_amorphous_LiSi_JCP2021
Viewer • Updated • 44.7k • 11
colabfit/AFF_JCP_2022
Viewer • Updated • 288k • 8
colabfit/COLL_train
Viewer • Updated • 120k • 21
colabfit/COMP6v2-B973c-def2mTZVP
Viewer • Updated • 156k • 7
colabfit/COMP6v2-wB97X-631Gd
Viewer • Updated • 158k • 4
colabfit/C_Gardner_2022
Viewer • Updated • 115k • 10
colabfit/Carolina_Materials
Viewer • Updated • 214k • 4
colabfit/Chig-AIMD_random_test
Viewer • Updated • 199k • 22
colabfit/Chig-AIMD_random_val
Viewer • Updated • 199k • 6
colabfit/Chig-AIMD_scaffold_test
Viewer • Updated • 199k • 9
colabfit/Chig-AIMD_scaffold_val
Viewer • Updated • 199k • 8
colabfit/Forces_are_not_enough
Viewer • Updated • 590k • 8
colabfit/GDB_9_nature_2014
Viewer • Updated • 134k • 3