/tools/NixOS-QChem

NixOS-QChem

Nix-QChem/NixOS-QChem

103 stars16 forksNixAdded February 4, 2026
summary

NixOS-QChem is a repository that facilitates the integration of quantum chemistry software packages into the NixOS environment, enabling users to perform high-performance computing tasks related to molecular simulations and calculations. It supports various quantum chemistry tools, making it suitable for researchers in computational chemistry.

description

Nix expressions for HPC/Quantum chemistry software packages

topics

hpcquantum-chemistrynixcomputational-chemistry

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