- 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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Repositories
Showing 10 of 44 repositories
- cheminformatics-microservice Public
This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
- DECIMER.ai Public Forked from OBrink/DECIMER.ai
This repository contains the code for https://decimer.ai
- 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.
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- DECIMER-Image_Transformer Public Forked from Kohulan/DECIMER-Image_Transformer
DECIMER 1.0: Deep Learning for Chemical Image Recognition using Transformers
- classify_homologues Public Forked from adelenelai/onglai-classify-homologues
A cheminformatics algorithm to classify homologous chemical series
- GlycosylationStatistics Public Forked from JonasSchaub/GlycosylationStatistics
Systematic detection of sugar moieties in COCONUT using the Sugar Removal Utility
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- 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.
- ErtlFunctionalGroupsFinder Public Forked from JonasSchaub/ErtlFunctionalGroupsFinder
Open reimplementation of the Ertl algorithm for functional group identification based on the Chemistry Development Kit (CDK)
