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mdsunivie
deeperwin mdsunivie
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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...
deep-learning physical-chem weight-sharing transfer-learning quantum-monte-carlo deep-neural-networks schrodinger-equation variational-monte-carlo
Created 2021-06-14
66 commits to master branch, last one 5 months ago