Skip to content
@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

GitHub Logo

Pinned Loading

  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 29 3

  2. 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

  3. 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

  4. 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 4

  5. DECIMER.ai DECIMER.ai Public

    Forked from OBrink/DECIMER.ai

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

    JavaScript

  6. 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 7

Repositories

Showing 10 of 50 repositories
  • 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 9 0 0 Updated Oct 23, 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 1 Updated Oct 18, 2024
  • 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 7 0 59 2 Updated Oct 16, 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 29 MIT 3 15 0 Updated Oct 1, 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
  • cdk Public Forked from cdk/cdk

    The Chemistry Development Kit

    Steinbeck-Lab/cdk’s past year of commit activity
    Java 0 LGPL-2.1 165 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
View all repositories

Top languages

Loading…

Most used topics

Loading…