This GitHub site is dedicated to the dissemination and management of research software developed by the Steinbeck Lab. For more information about our work and group, please visit https://cheminf.uni-jena.de. ✨
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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.
This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
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.
A library to generate fingerprints for molecular structures based on a set of fragments
Implementation of the ART2a fingerprint clustering algorithm in Java.
This repository contains the code for https://decimer.ai
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