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JonasSchaub/README.md

👋 Hi, I'm Jonas Schaub

Postdoctoral Researcher | Natural Product Cheminformatics | Open Source Advocate

🧬 About Me

I'm a Postdoctoral Researcher specializing in Natural Product Cheminformatics, passionate about making scientific software accessible and reproducible for everyone. My work focuses on developing and applying cheminformatics tools to understand, analyze, and visualize natural products.

I'm part of the Steinbeck research group, where we advance open-source cheminformatics together.

🚀 Top Technologies

  • Java
  • Chemistry Development Kit (CDK) @cdk/cdk
  • Data Science & Cheminformatics

🏆 Featured Projects

🌱 Community & Contributions

  • Contributor to Chemistry Development Kit (CDK) @cdk/cdk
  • Member of the Steinbeck-Lab
  • Advocate for open science and reproducible research
  • Active collaborator in cheminformatics communities

📚 Publications

  • See my full publication list on ORCID

🔗 Connect & Learn More

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  1. FelixBaensch/MORTAR FelixBaensch/MORTAR Public

    MOlecule fRagmenTAtion fRamework

    Java 23 4

  2. cdk/cdk-scaffold cdk/cdk-scaffold Public

    Chemistry Development Kit module for scaffold functionalities

    Java 3 1

  3. SugarRemoval SugarRemoval Public

    The Sugar Removal Utility - An algorithmic approach for in silico removal of circular and linear sugars from molecular structures.

    Java 8 2

  4. ErtlFunctionalGroupsFinder ErtlFunctionalGroupsFinder Public

    Forked from zielesny/ErtlFunctionalGroupsFinder

    Open reimplementation of the Ertl algorithm for functional group identification based on the Chemistry Development Kit (CDK)

    Java 3 2

  5. ART2a-Clustering-for-Java ART2a-Clustering-for-Java Public

    Implementation of the ART2a fingerprint clustering algorithm in Java.

    Java 1 2

  6. FragmentFingerprints FragmentFingerprints Public

    A library to generate fingerprints for molecular structures based on a set of fragments

    Java 2 1