Roitberg Research Group

https://roitberg.chem.ufl.edu/

AI & ML interests

Machine learning potentials and atomistic machine learning

roitberg-group 's datasets 7

roitberg-group/torchani-tests-pickled-files

Updated Sep 9, 2025 • 125

roitberg-group/ani1x

Updated Apr 23, 2025 • 1

roitberg-group/testdata

Viewer • Updated Apr 23, 2025 • 5 • 152

roitberg-group/ani1ccx

Viewer • Updated Apr 23, 2025 • 1 • 6

roitberg-group/ani2x

Updated Apr 23, 2025 • 2

roitberg-group/comp6v2

Viewer • Updated Apr 23, 2025 • 24 • 3

roitberg-group/comp6v1

Viewer • Updated Apr 23, 2025 • 20 • 5