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Projects in Awesome Lists tagged with qchem

A curated list of projects in awesome lists tagged with qchem .

https://github.com/abelcarreras/pyqchem

Python interface for Q-Chem

interface python q-chem qchem quantum-chemistry

Last synced: 07 Nov 2024

https://github.com/shihchengli/ape

APE - Automated Property Estimator

anharmonicity computational-chemistry python qchem quantum-chemistry

Last synced: 30 Oct 2024

https://github.com/jjgoings/yalehpc

submission scripts for use on HPCs with Yale CRC

gaussian hpc qchem submit yale

Last synced: 15 Oct 2024