Datasets from Meta in ColabFit format
ColabFit
university
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
Recent Activity
Organization Card
ColabFit
About
ColabFit curates first principles datasets for training data-driven interatomic potentials based on machine learning.
To conveniently search datasets by author, description, species/element content and more, visit the ColabFit Exchange.
To suggest a dataset for inclusion in ColabFit, use the form on our GitHub page.
Links
Datasets from "23 Single-Element DNPs" in ColabFit format
-
colabfit/23-Single-Element-DNPs_all_trajectories
Viewer • Updated • 109k • 25 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Al
Viewer • Updated • 5.1k • 13 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag
Viewer • Updated • 7.44k • 11 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer • Updated • 7.19k • 12
Datasets from Meta in ColabFit format
Datasets from "23 Single-Element DNPs" in ColabFit format
-
colabfit/23-Single-Element-DNPs_all_trajectories
Viewer • Updated • 109k • 25 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Al
Viewer • Updated • 5.1k • 13 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Ag
Viewer • Updated • 7.44k • 11 -
colabfit/23-Single-Element-DNPs_RSCDD_2023-Au
Viewer • Updated • 7.19k • 12
models 0
None public yet
datasets 469
colabfit/OPoly26-train
Updated
colabfit/OPoly26-val
Viewer • Updated • 210k • 6
colabfit/MatPES-RSCAN-2025.1
Viewer • Updated • 388k • 31
colabfit/MatPES-PBE-2025.1
Viewer • Updated • 435k • 25
colabfit/Transition1x_train
Viewer • Updated • 63k • 16 • 1
colabfit/JARVIS_CFID_3D_8_18_2022
Viewer • Updated • 1 • 25
colabfit/Cu_FHI-aims_NPJCM_2021
Viewer • Updated • 46.4k • 5
colabfit/NNIP_FeH_PRM_2021
Viewer • Updated • 41.7k • 6
colabfit/Zeo-1_SD_2022
Viewer • Updated • 12.9k • 9
colabfit/MD22_AT_AT
Viewer • Updated • 20k • 10