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@Steinbeck-Lab

Steinbeck-Lab

Official GitHub organization for the Steinbeck group Jena, Germany
README.md

Cheminformatics and Computational Metabolomics

  • Welcome to the official GitHub organization page for the Steinbeck-Lab, a team specializing in Cheminformatics and Computational Metabolomics at Friedrich-Schiller-University in Jena.

Research Group

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  1. cheminformatics-microservice cheminformatics-microservice Public

    This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.

    Python 24 3

  2. COCONUT-Legacy COCONUT-Legacy Public

    Forked from mSorok/COCONUT

    Java

  3. DECIMER-Image_Transformer DECIMER-Image_Transformer Public

    Forked from Kohulan/DECIMER-Image_Transformer

    DECIMER 1.0: Deep Learning for Chemical Image Recognition using Transformers

    Python 1

  4. SugarRemoval SugarRemoval Public

    Forked from JonasSchaub/SugarRemoval

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

    Java

  5. ChemIcal-DatasEt-comparatoR ChemIcal-DatasEt-comparatoR Public

    ChemIcal DatasEt comparatoR (CIDER) is a Python package and ready-to-use Jupyter Notebook workflow which primarily utilizes RDKit to compare two or more chemical structure datasets (SD files) in di…

    Jupyter Notebook 7 3

  6. DECIMER.ai DECIMER.ai Public

    Forked from OBrink/DECIMER.ai

    This repository contains the code for https://decimer.ai

    JavaScript

Repositories

Showing 10 of 50 repositories
  • coconut Public

    COCONUT (COlleCtion of Open Natural prodUcTs) is an open-source database featuring natural products curated from 63 diverse data sources, facilitating comprehensive research and discovery.

    Steinbeck-Lab/coconut’s past year of commit activity
    PHP 1 0 38 2 Updated Aug 8, 2024
  • cheminformatics-microservice Public

    This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.

    Steinbeck-Lab/cheminformatics-microservice’s past year of commit activity
    Python 24 MIT 3 16 1 Updated Aug 4, 2024
  • cdk Public Forked from cdk/cdk

    The Chemistry Development Kit

    Steinbeck-Lab/cdk’s past year of commit activity
    Java 0 LGPL-2.1 161 0 0 Updated Aug 1, 2024
  • nmrium Public Forked from cheminfo/nmrium

    React component to display and process nuclear magnetic resonance (NMR) spectra.

    Steinbeck-Lab/nmrium’s past year of commit activity
    TypeScript 0 MIT 26 0 0 Updated Jul 30, 2024
  • ART2a-Clustering-for-Java Public Forked from JonasSchaub/ART2a-Clustering-for-Java

    Implementation of the ART2a fingerprint clustering algorithm in Java.

    Steinbeck-Lab/ART2a-Clustering-for-Java’s past year of commit activity
    Java 0 MIT 2 0 0 Updated Jul 3, 2024
  • ErtlFunctionalGroupsFinder Public Forked from JonasSchaub/ErtlFunctionalGroupsFinder

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

    Steinbeck-Lab/ErtlFunctionalGroupsFinder’s past year of commit activity
    Java 0 LGPL-2.1 6 0 0 Updated Jul 3, 2024
  • MORTAR Public Forked from FelixBaensch/MORTAR

    MOlecule fRagmenTAtion fRamework

    Steinbeck-Lab/MORTAR’s past year of commit activity
    Java 0 MIT 3 0 0 Updated Jul 3, 2024
  • SugarRemoval Public Forked from JonasSchaub/SugarRemoval

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

    Steinbeck-Lab/SugarRemoval’s past year of commit activity
    Java 0 MIT 2 0 0 Updated Jul 3, 2024
  • toolminutes Public Forked from lamalab-org/toolminutes
    Steinbeck-Lab/toolminutes’s past year of commit activity
    JavaScript 0 5 0 0 Updated Jul 2, 2024
  • ChemIcal-DatasEt-comparatoR Public

    ChemIcal DatasEt comparatoR (CIDER) is a Python package and ready-to-use Jupyter Notebook workflow which primarily utilizes RDKit to compare two or more chemical structure datasets (SD files) in different aspects, e.g. size, overlap, molecular descriptor distributions, chemical space clustering, etc., most of which can be visually inspected.

    Steinbeck-Lab/ChemIcal-DatasEt-comparatoR’s past year of commit activity
    Jupyter Notebook 7 3 1 2 Updated Jul 2, 2024
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