Py-ChemShell is suitable for production calculations on all types of chemical systems and we recommend that new ChemShell users use the Python-based version.
The code is open source and can be downloaded free of charge from our website. For more info see: chemshell.org/py-chemshell...
We are delighted to announce the release of Py-ChemShell 2025 (v25.0), the latest release of the Python-based version of ChemShell.
