Repositories list

• chemotion_ELN

  Public
  Electronic Lab Notebook

  rdmelnfair-data+ 1smart-lab

  JavaScript

  •

  GNU Affero General Public License v3.0

  •66•173•395•93•Updated Feb 26, 2026Feb 26, 2026

• chemotion_saurus

  Public
  javascriptmarkdowndocumentation+ 1documentation-website

  JavaScript

  •49•1•36•10•Updated Feb 26, 2026Feb 26, 2026

• DELFIN

  Public
  Python

  •

  Other

  •0•1•0•0•Updated Feb 26, 2026Feb 26, 2026

• ChemistryKnowledgeBase

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

  PHP

  •1•1•15•0•Updated Feb 26, 2026Feb 26, 2026

• chemotion-converter-client

  Public
  CSS

  •

  GNU Affero General Public License v3.0

  •1•1•4•4•Updated Feb 26, 2026Feb 26, 2026

• 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

  •6•16•23•9•Updated Feb 25, 2026Feb 25, 2026

• smart-add

  Public
  TypeScript

  •0•2•2•3•Updated Feb 25, 2026Feb 25, 2026

• OpenStats

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

  visualizationdata-sciencedata+ 3ggplot2shinyrstats

  R

  •

  GNU General Public License v3.0

  •0•5•15•0•Updated Feb 24, 2026Feb 24, 2026

• 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•16•14•7•Updated Feb 23, 2026Feb 23, 2026

• chemotion-converter-app

  Public
  converterchemistryanalytics+ 1fair-data

  CSS

  •

  GNU Affero General Public License v3.0

  •5•5•11•2•Updated Feb 20, 2026Feb 20, 2026

• reaction-process-editor

  Public
  UI for Reaction process editor

  JavaScript

  •

  Other

  •0•0•0•0•Updated Feb 17, 2026Feb 17, 2026

• chemotion-converter-profiles

  Public
  Profiles and test files for the chemotion converter

  converterchemistryanalytics+ 1fair-data

  HTML

  •

  GNU Affero General Public License v3.0

  •0•0•0•0•Updated Feb 10, 2026Feb 10, 2026

• chemotion_REPO

  Public
  Repository for samples, reactions and related research data

  metadatarepositorydataset+ 5fairrdmdata-repositoryfair-datanfdi4chem

  JavaScript

  •

  GNU Affero General Public License v3.0

  •4•17•32•10•Updated Feb 9, 2026Feb 9, 2026

• BinaryParser

  Public
  binary parser

  Python

  •

  GNU General Public License v3.0

  •1•0•9•0•Updated Feb 6, 2026Feb 6, 2026

• shuttle

  Public
  File Watcher Builder

  Go

  •1•0•0•0•Updated Feb 3, 2026Feb 3, 2026

• inchi-gem

  Public
  Ruby wrapper for InChI v1.06

  Ruby

  •

  GNU Lesser General Public License v2.1

  •1•0•0•0•Updated Dec 9, 2025Dec 9, 2025

• Thermosimfit

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

  optimizationthermodynamicsrstats+ 1particle-swarm-optimization

  R

  •0•4•13•0•Updated Nov 28, 2025Nov 28, 2025

• chem-spectra-client

  Public
  ChemSpectra client side server.

  JavaScript

  •

  GNU Affero General Public License v3.0

  •5•10•2•2•Updated Sep 19, 2025Sep 19, 2025

• nmrglue

  Public
  A module for working with NMR data in Python

  Python

  •

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

  •98•0•0•1•Updated Sep 9, 2025Sep 9, 2025

• Ants

  Public
  C

  •1•1•0•0•Updated Aug 14, 2025Aug 14, 2025

• rinchi-gem

  Public
  Ruby

  •2•0•0•0•Updated Jun 24, 2025Jun 24, 2025

• water-solubility-prediction

  Public
  Jupyter Notebook

  •1•5•1•0•Updated Apr 23, 2025Apr 23, 2025

• PubChem_datasourcing

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Apr 21, 2025Apr 21, 2025

• shuttlebuilder

  Public
  Python

  •1•0•0•0•Updated Feb 28, 2025Feb 28, 2025

• reaction-svg-composer

  Public
  TypeScript

  •0•0•0•1•Updated Feb 17, 2025Feb 17, 2025

• chemotion-builder

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

  Dockerfile

  •12•0•1•0•Updated Oct 29, 2024Oct 29, 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

  •1•4•0•0•Updated Aug 14, 2024Aug 14, 2024

• ketcher-rails

  Public
  JavaScript

  •

  GNU General Public License v3.0

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

• chemobile

  Public
  Dart

  •

  GNU General Public License v3.0

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