{"categories":[{"label":"Scientific/Engineering","url":"https://skillfed.io/packages/category/scientific-engineering/7"}],"enrichment":{"capability":"Bridges OpenFermion quantum algorithm library with PySCF electronic structure package, enabling fermionic system simulation through PySCF's computational backend.","skillfed_tags":["quantum-computing","chemistry-simulation","abandoned"],"use_cases":["Compute electronic structure of molecules with PySCF, then use results in OpenFermion quantum algorithm simulations.","Develop and test quantum chemistry algorithms that need classical electronic structure data as reference or input.","Bridge research between quantum computing and computational chemistry by combining both libraries' capabilities.","Generate fermionic Hamiltonians from classical quantum chemistry calculations for quantum circuit design."],"what_it_does":"OpenFermion-PySCF is a plugin that connects OpenFermion (an open-source library for quantum algorithms simulating fermionic systems) with PySCF (an electronic structure computation package). It allows users to leverage PySCF's quantum chemistry calculations as input to OpenFermion's quantum algorithm framework, bridging classical electronic structure methods with quantum simulation research.\n\nThe package provides interfaces to run PySCF calculations and convert their results into OpenFermion's internal representations, enabling workflows where you compute molecular properties classically and then use them in quantum algorithm development. It depends on openfermion, pyscf, and pytest.","worth_installing":"No\u2014this package is abandoned (last release 2020-12-22, no maintenance signal since). While it has low install friction and permissive licensing, the lack of maintenance means it is almost certainly incompatible with current versions of its dependencies. For active quantum chemistry and quantum computing work, use openfermion and pyscf directly or seek a maintained alternative."},"id":"openfermionpyscf","links":{"html":"https://skillfed.io/packages/openfermionpyscf","md":"https://skillfed.io/packages/openfermionpyscf.md","pypi":"https://pypi.org/project/openfermionpyscf/"},"maintenance":{"status":"abandoned"},"meta":{"latest_release":"2020-12-22","license_spdx":null,"license_treatment":"permissive","name":"openfermionpyscf","python_support":"unspecified","summary":"A plugin allowing OpenFermion to interface with PySCF."},"popularity":{"monthly_downloads":120799,"position":12010,"tier":"top_15000"},"security":{"n_vulnerabilities":0},"version":"0.5"}