colabfit/WS22_urea
Viewer
•
Updated
•
120k
•
134
ColabFit
university
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
Recent Activity
colabfit/WS22_dmabn
Viewer
•
Updated
•
120k
•
122
colabfit/UNEP_v1_2023_train
Viewer
•
Updated
•
105k
•
135
colabfit/SPICE_2023
Viewer
•
Updated
•
117k
•
140
colabfit/JARVIS_QM9_STD_JCTC
Viewer
•
Updated
•
131k
•
124
colabfit/JARVIS_Materials_Project_2020
Updated
•
11
colabfit/JARVIS-QM9-DGL
Viewer
•
Updated
•
131k
•
124
colabfit/COMP6v2-wB97MD3BJ-def2TZVPP
Viewer
•
Updated
•
156k
•
120
colabfit/Alexandria_geometry_optimization_paths_PBE_1D
Viewer
•
Updated
•
665k
•
131
colabfit/xxMD-CASSCF_train
Viewer
•
Updated
•
130k
•
85
colabfit/sAlex_validation
Viewer
•
Updated
•
553k
•
94
colabfit/rMD17
Viewer
•
Updated
•
1,000k
•
94
colabfit/q-AQUA
Viewer
•
Updated
•
120k
•
83
colabfit/aC_JCP_2023
Viewer
•
Updated
•
20.2k
•
78
colabfit/WS22_urocanic
Viewer
•
Updated
•
120k
•
82
colabfit/WS22_sma
Viewer
•
Updated
•
120k
•
101
colabfit/WS22_nitrophenol
Viewer
•
Updated
•
120k
•
97
colabfit/WS22_alanine
Viewer
•
Updated
•
120k
•
85
colabfit/Transition1x-validation
Viewer
•
Updated
•
265k
•
88
colabfit/SN2_JCTC_2019
Viewer
•
Updated
•
395k
•
88
colabfit/SAIT_semiconductors_ACS_2023_HfO_raw
Viewer
•
Updated
•
192k
•
90
colabfit/QM9x
Viewer
•
Updated
•
134k
•
84
colabfit/OMat24_validation_rattled_1000
Viewer
•
Updated
•
117k
•
90
colabfit/OMat24_validation_aimd-from-PBE-1000-nvt
Viewer
•
Updated
•
196k
•
108
colabfit/OMat24_validation_aimd-from-PBE-1000-npt
Viewer
•
Updated
•
203k
•
109
colabfit/OC22-S2EF-Validation-out-of-domain
Viewer
•
Updated
•
458k
•
106
colabfit/OC22-S2EF-Validation-in-domain
Viewer
•
Updated
•
406k
•
114
colabfit/OC22-IS2RE-Validation-out-of-domain
Viewer
•
Updated
•
521k
•
115
colabfit/OC20_S2EF_val_ood_cat
Viewer
•
Updated
•
1,000k
•
99
colabfit/OC20_S2EF_val_id
Viewer
•
Updated
•
1,000k
•
94