colabfit/mlearn_Li_test
Viewer
•
Updated
•
63
•
5
Edit Datasets filters
Active filters:
mlip
colabfit/mlearn_Li_train
Viewer
•
Updated
•
488
•
2
colabfit/mlearn_Mo_train
Viewer
•
Updated
•
394
•
4
colabfit/mlearn_Ni_train
Viewer
•
Updated
•
532
•
1
colabfit/mlearn_Si_test
Viewer
•
Updated
•
55
•
5
colabfit/mlearn_Si_train
Viewer
•
Updated
•
434
•
1
colabfit/pure_magnesium_DFT_PRM2020
Viewer
•
Updated
•
819
•
3
colabfit/reactive_hydrogen_ACS_2023
Viewer
•
Updated
•
6.83k
colabfit/reduced-perovskite_and_oxidized-marokite_oxides
Viewer
•
Updated
•
5.84k
•
13
colabfit/sGDML_Aspirin_ccsd_NC2018_test
Viewer
•
Updated
•
501
colabfit/sGDML_Aspirin_ccsd_NC2018_train
Viewer
•
Updated
•
997
colabfit/sGDML_Benzene_DFT_NC2018
Viewer
•
Updated
•
49.9k
•
4
colabfit/sGDML_Benzene_ccsdt_NC2018_test
Viewer
•
Updated
•
501
•
5
colabfit/sGDML_Ethanol_ccsdt_NC2018_test
Viewer
•
Updated
•
1k
•
8
colabfit/sGDML_Ethanol_ccsdt_NC2018_train
Viewer
•
Updated
•
999
colabfit/sGDML_Malonaldehyde_ccsdt_NC2018_test
Viewer
•
Updated
•
501
colabfit/sGDML_Toluene_ccsdt_NC2018_test
Viewer
•
Updated
•
502
colabfit/sGDML_Toluene_ccsdt_NC2018_train
Viewer
•
Updated
•
1k
•
3
colabfit/solute_strengthening_of_prism_edge_locations_in_Mg_alloys
Viewer
•
Updated
•
156
colabfit/water_ice_JCP_2020
Viewer
•
Updated
•
16.8k
•
1
colabfit/water_ice_NEP_2023
Viewer
•
Updated
•
815
colabfit/water_ice_PNAS_2021
Viewer
•
Updated
•
7.73k
•
5
colabfit/xxMD-CASSCF_test
Viewer
•
Updated
•
86.8k
colabfit/xxMD-DFT_train
Viewer
•
Updated
•
86.8k
•
1
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer
•
Updated
•
7.19k
colabfit/23-Single-Element-DNPs_RSCDD_2023-Ge
Viewer
•
Updated
•
5.71k
•
11
colabfit/23-Single-Element-DNPs_RSCDD_2023-Kr
Viewer
•
Updated
•
5.85k
colabfit/23-Single-Element-DNPs_RSCDD_2023-Li
Viewer
•
Updated
•
5.07k
colabfit/23-Single-Element-DNPs_RSCDD_2023-Nb
Viewer
•
Updated
•
6.36k
•
7
colabfit/23-Single-Element-DNPs_RSCDD_2023-Pb
Viewer
•
Updated
•
10.6k
•
7