colabfit/JARVIS_Materials_Project_2020
Updated
•
5
ColabFit
university
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
Recent Activity
View all activity
colabfit/JARVIS-QM9-DGL
Viewer
•
Updated
•
131k
•
27
colabfit/COMP6v2-wB97MD3BJ-def2TZVPP
Viewer
•
Updated
•
156k
•
4
colabfit/Alexandria_geometry_optimization_paths_PBE_1D
Viewer
•
Updated
•
665k
•
12
colabfit/xxMD-CASSCF_train
Viewer
•
Updated
•
130k
•
3
colabfit/sAlex_validation
Viewer
•
Updated
•
553k
•
85
colabfit/rMD17
Viewer
•
Updated
•
1,000k
•
4
colabfit/q-AQUA
Viewer
•
Updated
•
120k
•
4
colabfit/aC_JCP_2023
Viewer
•
Updated
•
20.2k
•
4
colabfit/WS22_urocanic
Viewer
•
Updated
•
120k
•
15
colabfit/WS22_sma
Viewer
•
Updated
•
120k
•
3
colabfit/WS22_nitrophenol
Viewer
•
Updated
•
120k
•
6
colabfit/WS22_alanine
Viewer
•
Updated
•
120k
•
3
colabfit/Transition1x-validation
Viewer
•
Updated
•
265k
•
48
colabfit/SN2_JCTC_2019
Viewer
•
Updated
•
395k
•
23
colabfit/SAIT_semiconductors_ACS_2023_HfO_raw
Viewer
•
Updated
•
192k
•
3
colabfit/QM9x
Viewer
•
Updated
•
134k
•
17
colabfit/OMat24_validation_rattled_1000
Viewer
•
Updated
•
117k
•
4
colabfit/OMat24_validation_aimd-from-PBE-1000-nvt
Viewer
•
Updated
•
196k
•
13
colabfit/OMat24_validation_aimd-from-PBE-1000-npt
Viewer
•
Updated
•
203k
•
18
colabfit/OC22-S2EF-Validation-out-of-domain
Viewer
•
Updated
•
458k
•
41
colabfit/OC22-S2EF-Validation-in-domain
Viewer
•
Updated
•
406k
•
40
colabfit/OC22-IS2RE-Validation-out-of-domain
Viewer
•
Updated
•
521k
•
8
colabfit/OC20_S2EF_val_ood_cat
Viewer
•
Updated
•
1,000k
•
21
colabfit/OC20_S2EF_val_id
Viewer
•
Updated
•
1,000k
•
55
colabfit/OC20_S2EF_train_200K
Viewer
•
Updated
•
200k
•
12
colabfit/Matbench_mp_gap
Viewer
•
Updated
•
106k
•
10
colabfit/Matbench_mp_e_form
Viewer
•
Updated
•
133k
•
73
colabfit/JARVIS_QE_TB
Viewer
•
Updated
•
830k
•
41
colabfit/JARVIS_Open_Catalyst_100K
Viewer
•
Updated
•
125k
•
13