Ecosyste.ms: Awesome

An open API service indexing awesome lists of open source software.

https://github.com/refraction-ray/admc

Infinite order automatic differentiation for Monte Carlo with unnormalized probability distribution

automatic-differentiation monte-carlo statistical-mechanics tensorflow variational-monte-carlo

Last synced: 01 Jun 2024

https://github.com/mdsunivie/deeperwin

DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.

deep-learning deep-neural-networks physical-chem quantum-monte-carlo schrodinger-equation transfer-learning variational-monte-carlo weight-sharing

Last synced: 08 Apr 2024