Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with physical-chem
A curated list of projects in awesome lists tagged with physical-chem .
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: 02 Aug 2024