ComPlat - Compound Platform @ Karlsruhe Institute of Technology (KIT)

chemotion_ELN

Electronic Lab Notebook

chemotion_REPO

Repository for samples, reactions and related research data

chem-spectra-app

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

react-spectra-editor

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

chem-spectra-client

ChemSpectra client side server.

react-svg-file-zoom-pan

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

chemotion-converter-app

chemotion-converter-client

chemotion_saurus

ketcher-rails

Repository-Downloader

Thermosimfit

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

nmr_sim

Rails engine for fetching NMR simulation from 3rd party sources

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Repository-Tracker

shinychem

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

Chemotion-Templates

Repository for collecting Polymer Templates for the Chemotion group.

BinaryParser

binary parser

chem-dl-ir

chemobile

comeln

ELN_file_watcher

FAIR-processes

FAQ

Questions referring to chemotion repository

nmrglue

A module for working with NMR data in Python

openbabel-gem

Ruby GEM for openbabel

reaction-svg-composer

rinchi-gem

shuttle

File Watcher Builder

shuttlebuilder