Stars
Neural Network Force Field based on PyTorch
Deep learning quantum Monte Carlo for electrons in real space
A wavefunction ansatz based on Recurrent Neural Networks to perform Variational Monte-Carlo Simulations
Ray is an AI compute engine. Ray consists of a core distributed runtime and a set of AI Libraries for accelerating ML workloads.
MD study of motion of C60 fullerene on graphene substrates with controllable ripples
sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
gold cluster classification from stem images using machine learning