colabfit/Transition1x-validation
Viewer • Updated • 265k • 63
ColabFit
university
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
Recent Activity
View all activity
colabfit/Carolina_Materials
Viewer • Updated • 214k • 22
colabfit/Chig-AIMD_random_test
Viewer • Updated • 199k • 12
colabfit/Chig-AIMD_scaffold_val
Viewer • Updated • 199k • 10
colabfit/Chig-AIMD_random_val
Viewer • Updated • 199k • 29
colabfit/Chig-AIMD_scaffold_test
Viewer • Updated • 199k • 54
colabfit/Transition1x-test
Viewer • Updated • 190k • 59
colabfit/COMP6v2-wB97X-631Gd
Viewer • Updated • 158k • 17
colabfit/GFN-xTB_JCIM_2021
Viewer • Updated • 157k • 9
colabfit/COMP6v2-wB97MV-def2TZVPP
Viewer • Updated • 156k • 17
colabfit/COMP6v2-B973c-def2mTZVP
Viewer • Updated • 156k • 23
colabfit/AFF_JCP_2022
Viewer • Updated • 288k • 7
colabfit/QM9x
Viewer • Updated • 134k • 23
colabfit/GDB_9_nature_2014
Viewer • Updated • 134k • 29
colabfit/JARVIS_MEGNet2
Viewer • Updated • 133k • 15
colabfit/Matbench_mp_e_form
Viewer • Updated • 133k • 297
colabfit/xxMD-CASSCF_train
Viewer • Updated • 174k • 14
colabfit/JARVIS_Open_Catalyst_100K
Viewer • Updated • 125k • 23
colabfit/a-AlOx_JCP_2020
Viewer • Updated • 247k • 8
colabfit/q-AQUA
Viewer • Updated • 241k • 9
colabfit/WS22_sma
Viewer • Updated • 120k • 24
colabfit/WS22_dmabn
Viewer • Updated • 120k • 21
colabfit/WS22_nitrophenol
Viewer • Updated • 120k • 24
colabfit/WS22_alanine
Viewer • Updated • 120k • 13
colabfit/WS22_urocanic
Viewer • Updated • 120k • 8
colabfit/COLL_train
Viewer • Updated • 120k • 76
colabfit/WS22_urea
Viewer • Updated • 120k • 11
colabfit/WS22_o-hbdi
Viewer • Updated • 120k • 17
colabfit/WS22_acrolein
Viewer • Updated • 120k • 92
colabfit/WS22_thymine
Viewer • Updated • 120k • 58