Gregory Wolfe

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updated 2 collections about 6 hours ago

Meta -- Datasets -- ColabFit

Collection

Datasets from Meta/FAIRChem/in collaboration with Lawrence Livermore National Laboratory in ColabFit format. • 8 items • Updated about 6 hours ago

ODAC25 -- Open Direct Air Capture 2025

Collection

Open Direct Air Capture 2025 datasets from Meta/FAIR Chemistry/LLNL. The largest high-quality DFT dataset for Direct Air Capture. • 2 items • Updated about 6 hours ago

updated 2 collections about 7 hours ago

MatPES_2025

Collection

Versions 1 and 2 of the MatPES_2025 dataset. Potential energy surface datasets with near-complete coverage of the periodic table • 4 items • Updated about 7 hours ago

MSR-ACC-TAE25

Collection

Microsoft Research Accurate Chemistry Collection, Total Atomization Energies 2025. Atomization energies at CCSD(T)CBS at CCSD(T)CBS level of theory • 3 items • Updated about 7 hours ago

updated a dataset 1 day ago

colabfit/MSR-ACC-TAE25_Train

Viewer • Updated 1 day ago • 71.9k • 7

published a dataset 1 day ago

colabfit/MSR-ACC-TAE25_Train

Viewer • Updated 1 day ago • 71.9k • 7

updated a dataset 1 day ago

colabfit/MSR-ACC-TAE25_Val

Viewer • Updated 1 day ago • 731 • 8

published a dataset 1 day ago

colabfit/MSR-ACC-TAE25_Val

Viewer • Updated 1 day ago • 731 • 8

updated a dataset 1 day ago

colabfit/MSR-ACC-TAE25_All

Viewer • Updated 1 day ago • 73k • 8

published a dataset 1 day ago

colabfit/MSR-ACC-TAE25_All

Viewer • Updated 1 day ago • 73k • 8

updated a dataset 15 days ago

colabfit/MatPES-R2SCAN-2025.2

Viewer • Updated 15 days ago • 387k • 47

published a dataset 15 days ago

colabfit/MatPES-R2SCAN-2025.2

Viewer • Updated 15 days ago • 387k • 47

updated a dataset 15 days ago

colabfit/MatPES-PBE-2025.2

Viewer • Updated 15 days ago • 433k • 48

published a dataset 15 days ago

colabfit/MatPES-PBE-2025.2

Viewer • Updated 15 days ago • 433k • 48