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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. coconut coconut Public

    COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, and services for deposition, curation, and reuse.

    PHP 12

  2. cheminformatics-microservice cheminformatics-microservice Public

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

    Python 31 4

  3. DECIMER-Image_Transformer DECIMER-Image_Transformer Public

    Forked from Kohulan/DECIMER-Image_Transformer

    DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging transformer architectures, the model converts chemical images int…

    Python 1

  4. sherlock sherlock Public

    Forked from michaelwenk/sherlock

    Web Services for Computer-Assisted Structure Elucidation (CASE)

    Java

  5. MORTAR MORTAR Public

    Forked from FelixBaensch/MORTAR

    MOlecule fRagmenTAtion fRamework

    Java

  6. surge surge Public

    Forked from StructureGenerator/surge

    A Fast Chemical Graph Generator

    C 1

Repositories

Showing 10 of 50 repositories
  • coconut Public

    COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, and services for deposition, curation, and reuse.

    Steinbeck-Lab/coconut’s past year of commit activity
    PHP 12 0 23 3 Updated Dec 12, 2024
  • DECIMER-Image_Transformer Public Forked from Kohulan/DECIMER-Image_Transformer

    DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging transformer architectures, the model converts chemical images into SMILES strings, enabling the digitization of chemical data from scanned documents, literature, and patents.

    Steinbeck-Lab/DECIMER-Image_Transformer’s past year of commit activity
    Python 1 MIT 52 0 1 Updated Nov 21, 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 Nov 20, 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 31 MIT 4 14 1 Updated Nov 20, 2024
  • DECIMER-Image-Classifier Public Forked from Iagea/DECIMER-Image-Classifier
    Steinbeck-Lab/DECIMER-Image-Classifier’s past year of commit activity
    PureBasic 0 6 0 0 Updated Nov 1, 2024
  • RanDepict Public Forked from OBrink/RanDepict

    This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction styles and image augmentations) based on RDKit, CDK, Indigo and PIKAChU.

    Steinbeck-Lab/RanDepict’s past year of commit activity
    Python 0 MIT 10 0 0 Updated Oct 28, 2024
  • cheminf-jena-logos Public Forked from Kohulan/cheminf-jena-logos

    This repository contains logos for the tools and projects created and maintained by the Steinbeck group at Friedrich-Schiller University, Jena.

    Steinbeck-Lab/cheminf-jena-logos’s past year of commit activity
    0 MIT 1 0 0 Updated Oct 25, 2024
  • DECIMER.ai Public Forked from OBrink/DECIMER.ai

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

    Steinbeck-Lab/DECIMER.ai’s past year of commit activity
    JavaScript 0 MIT 8 0 0 Updated Oct 23, 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 4 2 1 Updated Sep 18, 2024
  • AutoNMR-An-Automated-Tool-for-NMR-Chemical-Shift-Calculations-using-NWChem Public Forked from sraj212000/AutoNMR-An-Automated-Tool-for-NMR-Chemical-Shift-Calculations-using-NWChem

    AutoNMR is a novel Python package designed to streamline and automate the workflow of NMR chemical shift calculations using NWChem.

    Steinbeck-Lab/AutoNMR-An-Automated-Tool-for-NMR-Chemical-Shift-Calculations-using-NWChem’s past year of commit activity
    Python 0 1 0 0 Updated Aug 20, 2024
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