Roitberg Group
Computational Chemistry Lab led by Prof. Adrian Roitberg at UF
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- lammps-ani Public
roitberg-group/lammps-ani’s past year of commit activity - torchani-amber Public
Interface enabling use of ANI-style, and other NN-IPs in the Amber molecular dynamics software suite. Works with both Amber engines, sander and pmemd.
roitberg-group/torchani-amber’s past year of commit activity - anitune Public
roitberg-group/anitune’s past year of commit activity - LUKE Public
Largest Uncertainty Kaleidoscope Estimator: Uncertainty-Driven Sampling of High-Error Forces
roitberg-group/LUKE’s past year of commit activity - ani_engine Public
roitberg-group/ani_engine’s past year of commit activity - sp2022-hackathon Public
roitberg-group/sp2022-hackathon’s past year of commit activity
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