Explore projects
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ICS-lcsb / PaFSe
Apache License 2.0Updated -
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Environmental Cheminformatics / Gnps Utils
Apache License 2.0Utilities that work with GNPS records.
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This repository contains a class that aims to parse CSV file, then generate a PDF file with some plotting
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Environmental Cheminformatics / Permanently Simple Utilities / mbsplasher
Apache License 2.0R package to calculate SPLASHes from MassBank records.
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R3 / outreach / papers / cobrexa / benchmarks
Apache License 2.0Benchmark scripts related to the COBREXA.jl publication
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A new shiny interface to generate transformation products (TPs) from parent compounds (pesticides, pharmaceuticals, etc.).
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