Pytorch

Guide to implementing the Müller-Brown potential in PyTorch, comparing analytical vs automatic differentiation with …

Langevin dynamics simulation showing particle motion in the deep reactant minimum (Basin MA) of the Müller-Brown …

Langevin dynamics simulation showing particle motion in the product minimum (Basin MB) of the Müller-Brown potential …

PyTorch implementation of the Müller-Brown potential with performance optimizations, MD simulations, and analytical vs …...

Extended Langevin dynamics simulation showing particle transitions between different basins of the Müller-Brown …

VAE tutorial using modern PyTorch: torch.distributions, optimization techniques, numerical stability, and implementation …

Learn about the Kabsch algorithm for optimal point alignment with implementations in NumPy, PyTorch, TensorFlow, and JAX …