Pinned

1. Quantum-Accelerators/quacc Quantum-Accelerators/quacc Public

   quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

   Python 139 38

2. Quantum-Accelerators/handbook Quantum-Accelerators/handbook Public

   A repo linking to the Rosen Group Handbook and for issue tracking

   5

3. Quantum-Accelerators/covalent-hpc-plugin Quantum-Accelerators/covalent-hpc-plugin Public

   Covalent plugin for HPC batch job schedulers (e.g. Slurm, PBS, LSF, Flux, Cobalt) built around PSI/J

   Python 8

4. Quantum-Accelerators/template Quantum-Accelerators/template Public template

   A template for Python packages. Developed by the @quantum-accelerators

   Python 10

5. QMOF QMOF Public

   The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.

   Python 101 26

6. periodic_trends periodic_trends Public

   Python script to plot periodic trends as a heat map over the periodic table of elements

   Python 73 24