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interatomic potential

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colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_train

Viewer • Updated Oct 17 • 29.1k • 24

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_glycine_validation

Viewer • Updated Oct 16 • 501 • 9

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_succinic_acid_validation

Viewer • Updated Oct 16 • 501 • 11

colabfit/DeePMD_SE

Viewer • Updated Oct 17 • 253k • 21

colabfit/FitSNAP_Fe_NPJ_2021

Viewer • Updated Oct 16 • 2.52k • 13

colabfit/GST_GAP_22_extended

Viewer • Updated Oct 16 • 2.92k • 12

colabfit/HEA25_high_entropy_transition-metal_alloys

Viewer • Updated Oct 17 • 51.3k • 20

colabfit/HME21_train

Viewer • Updated Nov 18 • 20k • 15

colabfit/HME21_validation

Viewer • Updated Nov 18 • 2.5k • 13

colabfit/HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_train

Viewer • Updated Nov 18 • 825 • 12

colabfit/HO_LiMoNiTi_NPJCM_2020_bulk_water_train_test

Viewer • Updated Nov 18 • 701 • 15

colabfit/HO_LiMoNiTi_NPJCM_2020_water_clusters

Viewer • Updated Nov 18 • 1.85k • 12

colabfit/HfO2_NPJ_2020

Viewer • Updated Oct 17 • 6k • 19

colabfit/Hydrogen-induced_insulating_state_SmNiO3

Viewer • Updated Nov 18 • 6.65k • 18

colabfit/InP_JPCA2020

Viewer • Updated Oct 16 • 5.42k • 19

colabfit/JARVIS_2DMatPedia

Viewer • Updated Nov 18 • 6.35k • 25

colabfit/JARVIS_AGRA_COOH

Viewer • Updated Nov 18 • 281 • 9

colabfit/JARVIS_CFID_3D_8_18_2022

Viewer • Updated Nov 18 • 1 • 23

colabfit/JARVIS_DFT_2D_3_12_2021

Viewer • Updated Nov 18 • 930 • 15

colabfit/JARVIS_DFT_3D_12_12_2022

Viewer • Updated Nov 18 • 77.2k • 40

colabfit/JARVIS_MEGNet2

Viewer • Updated Nov 18 • 133k • 23

colabfit/JARVIS_Open_Catalyst_All

Viewer • Updated Nov 18 • 485k • 57

colabfit/JARVIS_TinNet_O

Viewer • Updated Nov 18 • 748 • 13

colabfit/JARVIS_mlearn

Viewer • Updated Oct 16 • 3.15k • 19

colabfit/LiGePS_SSE_PBE

Viewer • Updated Oct 16 • 6.55k • 15

colabfit/LiGePS_SSE_PBEsol

Viewer • Updated Oct 16 • 2.84k • 18

colabfit/LiTiO_Science_2020

Viewer • Updated Nov 18 • 1.79k • 21

colabfit/MD22_buckyball_catcher

Viewer • Updated Nov 18 • 6.1k • 20

colabfit/MISPR

Viewer • Updated Nov 18 • 1.01k • 14

colabfit/MTPu_2023

Viewer • Updated Oct 16 • 2.13k • 13