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1. aiidalab/aiidalab-qe aiidalab/aiidalab-qe Public

   AiiDAlab App for Quantum ESPRESSO

   Python 30 23

2. aiidalab/aiidalab-qe-vibroscopy aiidalab/aiidalab-qe-vibroscopy Public

   Python 1 3

3. aiida-quantumespresso aiida-quantumespresso Public

   Forked from aiidateam/aiida-quantumespresso

   The official AiiDA plugin for Quantum ESPRESSO

   Python

4. dyson-orca-tools dyson-orca-tools Public

   Python-based tool for computing Dyson orbitals from CASCI and CASSCF wavefunctions generated by the ORCA quantum chemistry package. It parses ORCA’s JSON-formatted wavefunction outputs to extract a…

   Python 1 1

5. mypDMET mypDMET Public

   Forked from mitra054/mypDMET

   C

6. pyWannier90 pyWannier90 Public

   Forked from hungpham2017/pyWannier90

   A Wannier90 python interface for PySCF

   Python