/tools/basis_set_exchange

basis_set_exchange

MolSSI-BSE/basis_set_exchange

187 stars55 forksPythonWebsiteAdded February 5, 2026
summary

The Basis Set Exchange repository is a library that contains a curated database of quantum chemistry basis sets. It allows users to obtain and manipulate basis set data, which is crucial for performing accurate quantum chemistry calculations.

description

A repository for quantum chemistry basis sets

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