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interatomic potential

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colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_validation

Viewer • Updated Nov 18 • 201 • 14

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_test

Viewer • Updated Nov 18 • 201 • 9

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_train

Viewer • Updated Oct 16 • 3.6k • 12

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_glycine_validation

Viewer • Updated Nov 18 • 201 • 13

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_test

Viewer • Updated Nov 18 • 201 • 24

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_train

Viewer • Updated Oct 16 • 1.8k • 12

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_succinic_acid_validation

Viewer • Updated Nov 18 • 201 • 14

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_test

Viewer • Updated Oct 16 • 1k • 11

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_validation

Viewer • Updated Oct 16 • 1k • 14

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_test

Viewer • Updated Oct 16 • 501 • 12

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_succinic_acid_test

Viewer • Updated Oct 16 • 501 • 8

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_succinic_acid_train

Viewer • Updated Oct 17 • 29.2k • 15

colabfit/DP-GEN_Cu

Viewer • Updated Oct 17 • 15.3k • 16

colabfit/Fe_nanoparticles_PRB_2023

Viewer • Updated Oct 16 • 199 • 14

colabfit/CGM-MLP_natcomm2023_screening_carbon-cluster_Cu_test

Viewer • Updated Oct 16 • 194 • 11

colabfit/CGM-MLP_natcomm2023_screening_carbon-cluster_Cu_train

Viewer • Updated Oct 16 • 589 • 16

colabfit/CGM-MLP_natcomm2023_screening_deposited-carbon_Cu_train

Viewer • Updated Oct 16 • 1.09k • 9

colabfit/GST_GAP_22_main

Viewer • Updated Oct 16 • 2.69k • 12

colabfit/GST_GAP_22_refitted

Viewer • Updated Oct 16 • 2.69k • 16

colabfit/HDNNP_H2O

Viewer • Updated Nov 18 • 43.2k • 21

colabfit/HEA25S_high_entropy_alloys

Viewer • Updated Oct 17 • 30k • 26 • 1

colabfit/HME21_test

Viewer • Updated Nov 18 • 2.5k • 10

colabfit/HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_validation

Viewer • Updated Nov 18 • 1.79k • 12

colabfit/HO_LiMoNiTi_NPJCM_2020_bulk_water_validation

Viewer • Updated Nov 18 • 2.11k • 16

colabfit/HO_PNAS_2019

Viewer • Updated Nov 18 • 1.59k • 19

colabfit/HfO2_DPGEN_PRB_2021

Viewer • Updated Oct 17 • 28.6k • 12

colabfit/In2Se3_2D_DPGEN

Viewer • Updated Oct 17 • 11.5k • 12

colabfit/JARVIS-Polymer-Genome

Viewer • Updated Oct 16 • 2.15k • 30

colabfit/JARVIS_AGRA_CHO

Viewer • Updated Nov 18 • 217 • 8

colabfit/JARVIS_AGRA_CO

Viewer • Updated Nov 18 • 195 • 20