mdsunivie / deeperwinLinks
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.
☆62Updated 6 months ago
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