- 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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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 - 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 - 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 - 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 - 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 - 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 - 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 - 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
