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19 followers · 1 following
  • University of Antwerp
  • Belgium

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@rdkit
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Pinned

  1. qed qed Public

    Forked from silicos-it/qed

    The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit

    Python

  2. spectrophore spectrophore Public

    Forked from silicos-it/spectrophore

    Spectrophore technology as published in J. Cheminformatics (2018) 10, 9

    Python 1

  3. rdkit/shape-it rdkit/shape-it Public

    Updated version of Silicos-it's shape-based alignment tool

    C++ 36 11