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daenuprobst/README.md
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🦋 @skepteis.bsky.social   ·   🌍 danielprobst.science   ·   📜 Google Scholar

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  1. reymond-group/smilesDrawer reymond-group/smilesDrawer Public

    A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.

    JavaScript 607 92

  2. reymond-group/tmap reymond-group/tmap Public

    A very fast visualization library for large, high-dimensional data sets.

    C++ 262 45

  3. molsetrep molsetrep Public

    Molecular Set Representation Learning

    Python 51 7

  4. covid19-cases-switzerland covid19-cases-switzerland Public

    Data from BAG Tweets made useful.

    Python 281 73

  5. reymond-group/mhfp reymond-group/mhfp Public

    Molecular MHFP fingerprints for cheminformatics applications

    Python 98 19

  6. reymond-group/drfp reymond-group/drfp Public

    An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.

    Jupyter Notebook 83 20