/tools/QMCTorch

QMCTorch

NLESC-JCER/QMCTorch

GitHub
simulationtoolquantum-chemistry
29 stars1 forksPythonWebsiteAdded February 5, 2026
summary

QMCTorch is a PyTorch implementation designed for real space quantum Monte Carlo simulations of molecular systems. It provides tools for simulating molecular behavior at a quantum level, making it useful for researchers in computational chemistry.

description

Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems

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