/tools/naqs-for-quantum-chemistry
naqs-for-quantum-chemistry
tomdbar/naqs-for-quantum-chemistry
summary
This repository contains code for autoregressive neural-network wavefunctions aimed at solving the many-body Schrödinger equation in quantum chemistry. It provides tools for generating molecular data and running quantum chemistry experiments, leveraging machine learning techniques to enhance computational efficiency.
description
Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
topics
neural-network-quantum-statesquantum-chemistrypytorchpublication
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