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    54 repositories

    • visualizer-helper

      Public
      Small pieces of code useful in the visualizer
      JavaScript
      •
      MIT License
      •3•0•5•5•Updated May 20, 2026May 20, 2026

    • chem-equilibrium

      Public
      Compute chemical equilibrium
      JavaScript
      •
      MIT License
      •0•1•3•0•Updated Nov 30, 2023Nov 30, 2023

    • jcoupling-constant-predictor

      Public
      Predictor of 1,2,3 and 4 J coupling constants
      JavaScript
      •
      MIT License
      •0•0•0•14•Updated Jan 24, 2023Jan 24, 2023

    • file-saver.js

      Public
      JavaScript
      •
      Other
      •0•0•0•0•Updated Jan 11, 2023Jan 11, 2023

    • hlv-helper

      Public
      helper to create views for hastaLaVista R package and metabolic profliling analysis in general
      JavaScript
      •
      MIT License
      •0•0•0•12•Updated Jan 4, 2023Jan 4, 2023

    • atom-sorter

      Public
      Callback that allows to sort the chemical elements (or atoms) using the 'Hill' convention
      JavaScript
      •
      MIT License
      •0•0•0•16•Updated Jan 3, 2023Jan 3, 2023

    • nmr-predictor

      Public
      NMR chemical shift predictor
      JavaScript
      •
      MIT License
      •2•0•0•10•Updated Dec 6, 2022Dec 6, 2022

    • peptide

      Public archive
      Peptide
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Apr 19, 2021Apr 19, 2021

    • ir-spectrum

      Public archive
      JavaScript
      •
      MIT License
      •0•1•0•8•Updated Mar 22, 2021Mar 22, 2021

    • equilibrium2

      Public archive
      JavaScript
      •
      MIT License
      •1•0•0•0•Updated Mar 3, 2021Mar 3, 2021

    • openchemlib-extended

      Public archive
      JavaScript
      •
      BSD 3-Clause "New" or "Revised" License
      •4•0•2•0•Updated Sep 14, 2020Sep 14, 2020

    • spectra

      Public
      JavaScript
      •
      MIT License
      •6•3•15•0•Updated Sep 9, 2020Sep 9, 2020

    • nmr-mixture-generator

      Public
      Repository to generate a synthetic data-set of complex mixtures
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Jan 10, 2020Jan 10, 2020

    • mzML

      Public
      Read and explore mzML 1.1 files
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Nov 6, 2019Nov 6, 2019

    • sequence-svg

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Oct 1, 2019Oct 1, 2019

    • float16

      Public
      convert bytes to float16 and float16 to bytes
      JavaScript
      •
      MIT License
      •1•2•0•0•Updated Apr 21, 2019Apr 21, 2019

    • nmr-auto-assignment

      Public
      JavaScript
      •1•0•0•0•Updated Apr 4, 2019Apr 4, 2019

    • nmr-simulation

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Mar 26, 2019Mar 26, 2019

    • chemcalc-extended

      Public
      Extend the project chemcalc with new functionnalities
      JavaScript
      •
      MIT License
      •0•1•6•0•Updated Mar 25, 2019Mar 25, 2019

    • spectra-data

      Public
      Library to deal with spectra (IR, UV, ...), 1D NMR as well as 2D NMR
      nmrspectra
      nmrspectra
      JavaScript
      •
      MIT License
      •0•4•17•0•Updated Mar 18, 2019Mar 18, 2019

    • processing

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Jan 7, 2019Jan 7, 2019

    • jsgraph-helper

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Nov 29, 2018Nov 29, 2018

    • arw-parser

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Nov 16, 2018Nov 16, 2018

    • Reaction

      Public
      Utility package to process and depict reactions
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Nov 9, 2018Nov 9, 2018

    • ranges.js

      Public
      0•0•0•0•Updated Oct 10, 2018Oct 10, 2018

    • mass-database-manager

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Sep 19, 2018Sep 19, 2018

    • spectra-test

      Public
      JavaScript
      •
      MIT License
      •1•0•0•0•Updated Aug 28, 2018Aug 28, 2018

    • arrayxy-uniquex

      Public
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Aug 2, 2018Aug 2, 2018

    • arrayxy-closestx

      Public
      JavaScript
      •
      MIT License
      •0•0•1•0•Updated Aug 2, 2018Aug 2, 2018

    • nucleotide

      Public
      Library containing tools for nucleotides
      0•0•0•0•Updated Jun 29, 2018Jun 29, 2018
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