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molecular dynamics

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colabfit/OMol25_train_4M

Viewer • Updated Oct 17 • 2.66M • 572 • 3

colabfit/OMol25_train

Viewer • Updated Nov 4 • 65.3M • 1.44k • 1

compsciencelab/mdCATH

Updated Nov 30, 2024 • 8.4k • 5

colabfit/23-Single-Element-DNPs_RSCDD_2023-Al

Viewer • Updated Oct 16 • 5.1k • 46

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag

Viewer • Updated Oct 16 • 7.44k • 50

colabfit/23-Single-Element-DNPs_RSCDD_2023-Co

Viewer • Updated Oct 16 • 6.69k • 42

colabfit/23-Single-Element-DNPs_RSCDD_2023-Cu

Viewer • Updated Oct 16 • 6.72k • 17

colabfit/23-Single-Element-DNPs_RSCDD_2023-I

Viewer • Updated Oct 16 • 8.97k • 23

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mg

Viewer • Updated Oct 16 • 5.93k • 23

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mo

Viewer • Updated Oct 16 • 7.38k • 20

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ni

Viewer • Updated Oct 16 • 7.59k • 18

colabfit/23-Single-Element-DNPs_RSCDD_2023-Os

Viewer • Updated Oct 16 • 9.39k • 15

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pd

Viewer • Updated Oct 16 • 6.89k • 21

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pt

Viewer • Updated Oct 16 • 5.22k • 23

colabfit/23-Single-Element-DNPs_RSCDD_2023-Re

Viewer • Updated Oct 16 • 10k • 23

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sb

Viewer • Updated Oct 16 • 10.6k • 37

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zr

Viewer • Updated Oct 16 • 9.37k • 16

colabfit/3BPA_isolated_atoms

Viewer • Updated Nov 18 • 5 • 31

colabfit/3BPA_test_1200K

Viewer • Updated Nov 18 • 2.14k • 24

colabfit/3BPA_test_300K

Viewer • Updated Nov 18 • 1.67k • 16

colabfit/3BPA_test_dih_beta120

Viewer • Updated Nov 18 • 2.35k • 22

colabfit/3BPA_test_dih_beta150

Viewer • Updated Nov 18 • 2.35k • 23

colabfit/3BPA_test_dih_beta180

Viewer • Updated Nov 18 • 2.35k • 18

colabfit/ABC2D6-16_PRL_2018

Viewer • Updated Nov 18 • 43.8k • 15

colabfit/AENET_liquid_water_dataset_JCP2021

Viewer • Updated Nov 18 • 18.4k • 29

colabfit/Ag-PBE_MSMSE_2021

Viewer • Updated Oct 17 • 7.6k • 14

colabfit/AgAu-nanoalloy_MSMSE_2021

Viewer • Updated Oct 16 • 103k • 16

colabfit/AlNiTi_CMS_2019

Viewer • Updated Oct 16 • 5.35k • 18

colabfit/Al_Cu_Mg_GSFE_JMPS2019

Viewer • Updated Nov 18 • 549 • 13

colabfit/Au-PBE_MSMSE_2021

Viewer • Updated Oct 17 • 19.4k • 18