arxiv_2205.09438v2

This release contains all code to reproduce our arxiv-paper
Gold-standard solutions to the Schrödinger equation using deep learning: How much physics do we need?
https://arxiv.org/abs/2205.09438v2

Among other things it supports:

• PauliNet-like-architectures, FermiNet-like-architectures, as well as our own improved architecture detailed in the paper
• Optimization using KFAC
• Local coordinate systems
• Physics-inspired initializiation of envelopes

While still contained in the codebase, some older features not relevant for the paper (such as weight-sharing) have not been tested and might be broken in this release.