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digichem-library


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Author: Oliver S. Lee
License: Copyright 2026 Digichem Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: ...
Summary: Open-source library for Digichem
Latest version: 8.1.0
Required dependencies: adjusttext | basis-set-exchange | cclib | colour-science | configurables | deepmerge | dill | matplotlib | openprattle | periodictable | pillow | pyyaml | rdkit | scipy
Optional dependencies: bayesian-optimization | pyscf | pytest | pytest-lazy-fixture

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