Roitberg Group
Computational Chemistry Lab led by Prof. Adrian Roitberg at UF
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Showing 10 of 11 repositories
- 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.
- lammps-ani Public
- anitune Public
- LUKE Public
Largest Uncertainty Kaleidoscope Estimator: Uncertainty-Driven Sampling of High-Error Forces
- ani_engine Public
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