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interatomic potential

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colabfit/23-Single-Element-DNPs_RSCDD_2023-Pb

Viewer • Updated Oct 16 • 10.6k • 17

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sr

Viewer • Updated Oct 16 • 6.2k • 20

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ti

Viewer • Updated Oct 16 • 11k • 20

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zn

Viewer • Updated Oct 16 • 7.9k • 16

colabfit/3BPA_test_600K

Viewer • Updated Nov 18 • 2.14k • 11

colabfit/3BPA_train_300K

Viewer • Updated Nov 18 • 501 • 11

colabfit/3BPA_train_mixed

Viewer • Updated Nov 18 • 501 • 12

colabfit/ANI-Al_NC2021-test

Viewer • Updated Nov 18 • 2.77k • 21

colabfit/ANI-Al_NC2021-train

Viewer • Updated Nov 18 • 2.78k • 18

colabfit/AgPd_NPJ_2021

Viewer • Updated Oct 16 • 3.68k • 16

colabfit/AlNiCu_AIP_2020

Viewer • Updated Nov 18 • 1.02k • 12

colabfit/BA10-18

Viewer • Updated Nov 18 • 47.8k • 25

colabfit/BOTnet_ACAC_2022_H_transfer

Viewer • Updated Nov 18 • 16 • 12

colabfit/BOTnet_ACAC_2022_isolated

Viewer • Updated Nov 18 • 4 • 10

colabfit/BOTnet_ACAC_2022_train_300K_MD

Viewer • Updated Nov 18 • 501 • 9

colabfit/CA-9_BR_training

Viewer • Updated Oct 17 • 20k • 19

colabfit/CA-9_BR_validation

Viewer • Updated Oct 16 • 4k • 21

colabfit/CA-9_RR_validation

Viewer • Updated Oct 16 • 4k • 17

colabfit/CA-9_test

Viewer • Updated Oct 16 • 2.73k • 15

colabfit/CGM-MLP_natcomm2023_Cr-C_deposition

Viewer • Updated Oct 16 • 1.19k • 16

colabfit/CGM-MLP_natcomm2023_Cu-C_deposition

Viewer • Updated Oct 16 • 1.18k • 15

colabfit/CGM-MLP_natcomm2023_screening_amorphous_carbon_test

Viewer • Updated Oct 16 • 495 • 10

colabfit/CGM-MLP_natcomm2023_screening_deposited-carbon_Cu_test

Viewer • Updated Oct 16 • 470 • 16

colabfit/COLL_test

Viewer • Updated Nov 18 • 9.48k • 15

colabfit/Carbon_GAP_JCP_2020_train

Viewer • Updated Oct 16 • 8.98k • 23

colabfit/CoCrFeNiPd_MRL2020

Viewer • Updated Oct 16 • 198 • 16

colabfit/ComBat

Viewer • Updated Nov 18 • 231 • 14

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_test

Viewer • Updated Nov 18 • 201 • 14

colabfit/DFT_polymorphs_PNAS_2022_PBE0_MBD_benzene_train

Viewer • Updated Oct 16 • 1.8k • 13

colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_train

Viewer • Updated Oct 16 • 55k • 32