Predictions of chemical shieldings using machine learning

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  • License: BSD-3-Clause
  • Requires: Python >=3.9

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ShiftML

This project is not yet fully released on PyPI, please install it from source for now: https://github.com/lab-cosmo/ShiftML

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  • License: BSD-3-Clause
  • Requires: Python >=3.9

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