ChemistryAtlas Code
Quantum-Accelerators/quacc
Quantum chemistry and simulationGitHubsource codechemistrycomputational-materials-sciencedatabasedfthigh-throughputhpcpythonquantum-chemistryquantum-mechanics
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Why it is useful: Quantum chemistry and simulation repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 266 stars, 73 forks, primary language: Python.
Homepage: https://quantum-accelerators.github.io/quacc/
Citation: GitHub repository: Quantum-Accelerators/quacc