Edit Datasets filters

Datasets

486

Full-text search

Active filters: molecular dynamics

colabfit/Open_Direct_Air_Capture_ODAC2025_Train_Full

Viewer • Updated 4 days ago • 110M • 332 • 1

compsciencelab/mdCATH

Updated Nov 30, 2024 • 26.2k • 11

colabfit/23-Single-Element-DNPs_RSCDD_2023-Al

Viewer • Updated Oct 16, 2025 • 5.1k • 174

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag

Viewer • Updated Oct 16, 2025 • 7.44k • 194

colabfit/23-Single-Element-DNPs_RSCDD_2023-Co

Viewer • Updated Oct 16, 2025 • 6.69k • 124

colabfit/23-Single-Element-DNPs_RSCDD_2023-Cu

Viewer • Updated Oct 16, 2025 • 6.72k • 78

colabfit/23-Single-Element-DNPs_RSCDD_2023-I

Viewer • Updated Oct 16, 2025 • 8.97k • 26

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mg

Viewer • Updated Oct 16, 2025 • 5.93k • 90

colabfit/23-Single-Element-DNPs_RSCDD_2023-Mo

Viewer • Updated Oct 16, 2025 • 7.38k • 264

colabfit/23-Single-Element-DNPs_RSCDD_2023-Ni

Viewer • Updated Oct 16, 2025 • 7.59k • 112

colabfit/23-Single-Element-DNPs_RSCDD_2023-Os

Viewer • Updated Oct 16, 2025 • 9.39k • 63

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pd

Viewer • Updated Oct 16, 2025 • 6.89k • 114

colabfit/23-Single-Element-DNPs_RSCDD_2023-Pt

Viewer • Updated Oct 16, 2025 • 5.22k • 157

colabfit/23-Single-Element-DNPs_RSCDD_2023-Re

Viewer • Updated Oct 16, 2025 • 10k • 41

colabfit/23-Single-Element-DNPs_RSCDD_2023-Sb

Viewer • Updated Oct 16, 2025 • 10.6k • 11

colabfit/23-Single-Element-DNPs_RSCDD_2023-Zr

Viewer • Updated Oct 16, 2025 • 9.37k • 242

colabfit/3BPA_isolated_atoms

Viewer • Updated Nov 18, 2025 • 5 • 17

colabfit/3BPA_test_1200K

Viewer • Updated Nov 18, 2025 • 2.14k • 17

colabfit/3BPA_test_300K

Viewer • Updated Nov 18, 2025 • 1.67k • 35

colabfit/3BPA_test_dih_beta120

Viewer • Updated Nov 18, 2025 • 2.35k • 71

colabfit/3BPA_test_dih_beta150

Viewer • Updated Nov 18, 2025 • 2.35k • 180

colabfit/3BPA_test_dih_beta180

Viewer • Updated Nov 18, 2025 • 2.35k • 56

colabfit/ABC2D6-16_PRL_2018

Viewer • Updated Nov 18, 2025 • 43.8k • 12

colabfit/AENET_liquid_water_dataset_JCP2021

Viewer • Updated Nov 18, 2025 • 18.4k • 140

colabfit/Ag-PBE_MSMSE_2021

Viewer • Updated Oct 17, 2025 • 7.6k • 98

colabfit/AgAu-nanoalloy_MSMSE_2021

Viewer • Updated Oct 16, 2025 • 103k • 24

colabfit/AlNiTi_CMS_2019

Viewer • Updated Oct 16, 2025 • 5.35k • 75

colabfit/Al_Cu_Mg_GSFE_JMPS2019

Viewer • Updated Nov 18, 2025 • 549 • 56

colabfit/Au-PBE_MSMSE_2021

Viewer • Updated Oct 17, 2025 • 19.4k • 19

colabfit/BOTnet_ACAC_2022_Dihedral_scan

Viewer • Updated Nov 18, 2025 • 46 • 57