Ecosyste.ms: Awesome
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Projects in Awesome Lists by mdsunivie
A curated list of projects in awesome lists by mdsunivie .
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
