Repositories list

• chemotion_ELN

  Public
  Electronic Lab Notebook

  rdmelnfair-data+ 1smart-lab

  JavaScript

  •

  GNU Affero General Public License v3.0

  •53•126•324•74•Updated Nov 15, 2024Nov 15, 2024

• Biostats

  Public
  Biostats is a shiny app offering many statistical methods (visualisation with ggplot2, t-test, aov, correlations etc.).

  visualizationdata-sciencedata+ 5ggplot2shinyrstatsshinyliveshinylive-r

  R

  •

  GNU General Public License v3.0

  •0•1•1•0•Updated Nov 14, 2024Nov 14, 2024

• chemotion-converter-app

  Public
  Python

  •

  GNU Affero General Public License v3.0

  •5•6•13•5•Updated Nov 14, 2024Nov 14, 2024

• chem-spectra-app

  Public
  A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.

  Python

  •

  GNU Affero General Public License v3.0

  •9•11•10•5•Updated Nov 14, 2024Nov 14, 2024

• chemotion_saurus

  Public
  markdowndocumentationdocumentation-website+ 1javascript

  JavaScript

  •36•2•33•7•Updated Nov 11, 2024Nov 11, 2024

• water-solubility-prediction

  Public
  Jupyter Notebook

  •0•0•1•0•Updated Nov 11, 2024Nov 11, 2024

• chemotion_REPO

  Public
  Repository for samples, reactions and related research data

  metadatarepositorydataset+ 5fairrdmdata-repositoryfair-datanfdi4chem

  JavaScript

  •

  GNU Affero General Public License v3.0

  •2•12•29•2•Updated Nov 6, 2024Nov 6, 2024

• Thermosimfit

  Public
  Optimizing Unknown Parameters in Algebraic Systems for Thermodynamic Bindings (https://complat.github.io/Thermosimfit/)

  optimizationthermodynamicsrstats+ 1particle-swarm-optimization

  R

  •0•3•10•0•Updated Oct 29, 2024Oct 29, 2024

• chemotion-builder

  Public
  Monorepo containing everything you need to build and run Chemotion in a dockerized environment.

  Dockerfile

  •12•0•2•0•Updated Oct 29, 2024Oct 29, 2024

• chemotion-converter-client

  Public
  JavaScript

  •

  GNU Affero General Public License v3.0

  •1•2•0•1•Updated Oct 28, 2024Oct 28, 2024

• ChemistryKnowledgeBase

  Public
  a project based on semantic media wiki - enriched with chemistry toolkits

  PHP

  •0•1•11•0•Updated Oct 25, 2024Oct 25, 2024

• chem-spectra-client

  Public
  ChemSpectra client side server.

  JavaScript

  •

  GNU Affero General Public License v3.0

  •4•7•2•5•Updated Oct 25, 2024Oct 25, 2024

• react-spectra-editor

  Public
  An editor to View and Edit Chemical Spectra data (NMR, IR and MS).

  JavaScript

  •

  GNU Affero General Public License v3.0

  •5•10•15•10•Updated Oct 25, 2024Oct 25, 2024

• shuttlebuilder

  Public
  Python

  •0•0•0•0•Updated Oct 11, 2024Oct 11, 2024

• shuttle

  Public
  File Watcher Builder

  Go

  •0•0•0•0•Updated Oct 11, 2024Oct 11, 2024

• react-svg-file-zoom-pan

  Public
  A package displaying an external SVG file/string as react.js component with zoom & pan.

  JavaScript

  •

  GNU General Public License v2.0

  •2•7•3•4•Updated Sep 28, 2024Sep 28, 2024

• ir_analysis

  Public
  Python

  •0•0•0•0•Updated Aug 14, 2024Aug 14, 2024

• ketcher-rails

  Public
  JavaScript

  •

  GNU General Public License v3.0

  •5•2•3•15•Updated Aug 6, 2024Aug 6, 2024

• chemobile

  Public
  Dart

  •

  GNU General Public License v3.0

  •0•0•0•1•Updated Jul 30, 2024Jul 30, 2024

• nmrglue

  Public
  A module for working with NMR data in Python

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •88•0•0•0•Updated Jul 23, 2024Jul 23, 2024

• Repository-Tracker

  Public
  Ruby

  •0•1•3•7•Updated Jun 25, 2024Jun 25, 2024

• Repository-Downloader

  Public
  Ruby

  •0•2•3•5•Updated Jun 23, 2024Jun 23, 2024

• BinaryParser

  Public
  binary parser

  C++

  •0•0•5•0•Updated May 27, 2024May 27, 2024

• rinchi-gem

  Public
  Ruby

  •1•0•0•0•Updated May 23, 2024May 23, 2024

• ELN_file_watcher

  Public
  Go

  •0•0•2•0•Updated Apr 26, 2024Apr 26, 2024

• reaction-svg-composer

  Public
  TypeScript

  •0•0•1•0•Updated Apr 17, 2024Apr 17, 2024

• chem-dl-ir

  Public
  Jupyter Notebook

  •

  GNU Affero General Public License v3.0

  •1•0•0•1•Updated Feb 13, 2024Feb 13, 2024

• Chemotion-Templates

  Public
  Repository for collecting Polymer Templates for the Chemotion group.

  templates

  4•0•2•1•Updated Sep 11, 2023Sep 11, 2023

• FAQ

  Public
  Questions referring to chemotion repository

  0•0•1•0•Updated Feb 28, 2023Feb 28, 2023

• nmr_sim

  Public
  Rails engine for fetching NMR simulation from 3rd party sources

  Ruby

  •

  MIT License

  •0•1•0•10•Updated Jan 19, 2023Jan 19, 2023