qc-chemtools is an open-source command-line toolkit designed for computational chemists to interpret and analyze outputs from quantum chemistry calculations. It provides tools for population analysis, molecular orbital theory, and density matrices, supporting advanced chemical research workflows.
qc-chemtools sits in PulseGate's Other dev tools category. It focuses on interpreting and analyzing complex outputs from quantum chemistry calculations. qc-chemtools is an open-source project aimed at computational chemists. The project is open source (GPL-3.0). It runs on the command line.
Behind qc-chemtools is theochem, and the product first shipped in 2015. The project is developed in the open on GitHub with 60 stars and 16 commits in the last 90 days. Across PulseGate's embedding index, qc-chemtools has few near neighbours, marking it as relatively distinct. Among its 5 catalogued features are quantum chemistry analysis, population analysis, and molecular orbital tools.
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