zmahnoor14

zmahnoor14's Stars

• anne-susann/CoCultureSmPp

  Analysis of the MS1 and MS2 data of Co-Culture experiment with S. marinoi and P. parvum

  Language:R21

• mcs07/PubChemPy

  Python wrapper for the PubChem PUG REST API.

  Language:Python404109

• sirius-ms/sirius

  SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

  Language:Java9023

• FelixBaensch/K8sPlayground

  Playground for Kubernetes and Docker

  Language:Java1

• FelixBaensch/CdkDescriptorCalculator

  Language:Java1

• FelixBaensch/MORTAR

  MOlecule fRagmenTAtion fRamework

  Language:Java193

• 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.

  Language:Python2510

• Kohulan/OCSR_Review

  This repository contains the information related to the benchmark study on openly available OCSR tools

  Language:Python3312

• Kohulan/DECIMER-Image-to-SMILES

  The repository contains the network and the related scripts for encoder-decoder based Chemical Image Recognition

  Language:Python8524

• Kohulan/DECIMER_Short_Communication

  Language:Python42

• Kohulan/Tensorflow-2.0-installation-with-CUDA-support

  A detailed step by step guide to install Tensorflow-2.0-gpu with CUDA Drivers on Ubuntu Server/ Desktop LTS

  23

• Kohulan/DECIMER-Image-Segmentation

  Chemical structure detection and segmentation tool for Journal articles.

  Language:Jupyter Notebook9131

• 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.

  21

• Kohulan/Smiles-TO-iUpac-Translator

  Transformer based SMILES to IUPAC Translator

  Language:Python14029

• 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.

  Language:Python22553

• JonasSchaub/SPICES

  SPICES – A particle-based Molecular Structure Line Notation and Support Library for Mesoscopic Simulation

  Language:Java2

• JonasSchaub/AlkylFragmentationAlgorithm

  An algorithm for dissecting diverse alkyl fragments into defined smaller subunits.

  Language:Java21

• JonasSchaub/SugarRemoval

  The Sugar Removal Utility - An algorithmic approach for in silico removal of circular and linear sugars from molecular structures.

  Language:Java72

• JonasSchaub/Ertl-FG-for-COCONUT

  Ertl Functional Groups for the COlleCtion of Open NatUral producTs (COCONUT)

  Language:Java3

• JonasSchaub/GlycosylationStatistics

  Systematic detection of sugar moieties in COCONUT using the Sugar Removal Utility

  Language:Jupyter Notebook31

• JonasSchaub/ScaffoldGenerator

  A CDK-based library for generating Scaffold Trees and Scaffold Networks

  Language:Java2

• JonasSchaub/MORTAR

  MOlecule fRagmenTAtion fRamework

  Language:Java2

• JonasSchaub/ErtlFunctionalGroupsFinder

  Open reimplementation of the Ertl algorithm for functional group identification based on the Chemistry Development Kit (CDK)

  Language:Java21

• axelwalter/OpenMS

  The codebase of the OpenMS project

  Language:C++1

• cdk/cdk

  The Chemistry Development Kit

  Language:Java503162