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py4chemoinformaticsPython for chemoinformatics
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Mutual labels: cheminformatics, drug-discovery, drug-design
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Mutual labels: cheminformatics, drug-discovery, drug-design
ScopyAn integrated negative design python library for desirable HTS/VS database design
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siriusSIRIUS 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)
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Mutual labels: bioinformatics, cheminformatics
AMIDDIntroduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
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ScipipeRobust, flexible and resource-efficient pipelines using Go and the commandline
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CdkThe Chemistry Development Kit
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TdcTherapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics
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Dgl LifesciPython package for graph neural networks in chemistry and biology
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SnprThe sources of the openSNP website
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GLaDOSWeb Interface for ChEMBL @ EMBL-EBI
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PyPLIF-HIPPOSHIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS
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PHATPathogen-Host Analysis Tool - A modern Next-Generation Sequencing (NGS) analysis platform
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TeamTeriGenomics using open source tools, running on GCP or AWS
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Mutual labels: bioinformatics