- 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.
Steinbeck-Lab
Official GitHub organization for the Steinbeck group Jena, Germany
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- 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 - 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 - 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 - 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 - 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 - 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