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

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51 repositories

water-solubility-prediction
Public
Jupyter Notebook
•0•1•1•0•Updated Dec 23, 2024Dec 23, 2024
chemotion_ELN
Public
Electronic Lab Notebook
rdm eln fair-data smart-lab
JavaScript
•
GNU Affero General Public License v3.0
•54•135•327•75•Updated Dec 20, 2024Dec 20, 2024
chemotion-converter-app
Public
Python
•
GNU Affero General Public License v3.0
•5•6•5•3•Updated Dec 20, 2024Dec 20, 2024
chemotion_saurus
Public
markdown documentation documentation-website javascript
JavaScript
•36•2•33•8•Updated Dec 20, 2024Dec 20, 2024
ChemistryKnowledgeBase
Public
a project based on semantic media wiki - enriched with chemistry toolkits
PHP
•0•1•19•0•Updated Dec 20, 2024Dec 20, 2024
Biostats
Public
Biostats is a shiny app offering many statistical methods (visualisation with ggplot2, t-test, aov, correlations etc.).
visualization data-science data ggplot2 shiny rstats shinylive shinylive-r
R
•
GNU General Public License v3.0
•0•2•3•0•Updated Dec 19, 2024Dec 19, 2024
chemotion-converter-client
Public
JavaScript
•
GNU Affero General Public License v3.0
•1•2•0•3•Updated Dec 16, 2024Dec 16, 2024
Thermosimfit
Public
Optimizing Unknown Parameters in Algebraic Systems for Thermodynamic Bindings (https://complat.github.io/Thermosimfit/)
optimization thermodynamics rstats particle-swarm-optimization
R
•0•3•9•0•Updated Dec 14, 2024Dec 14, 2024
shuttlebuilder
Public
Python
•0•0•0•0•Updated Dec 10, 2024Dec 10, 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•13•10•3•Updated Dec 10, 2024Dec 10, 2024
shuttle
Public
File Watcher Builder
Go
•0•0•0•0•Updated Dec 10, 2024Dec 10, 2024
chemotion_REPO
Public
Repository for samples, reactions and related research data
metadata repository dataset fair rdm data-repository fair-data nfdi4chem
JavaScript
•
GNU Affero General Public License v3.0
•2•12•30•3•Updated Dec 2, 2024Dec 2, 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 Nov 25, 2024Nov 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•12•15•11•Updated Nov 20, 2024Nov 20, 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
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-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
issue-transit
Public
0•0•0•0•Updated Jul 8, 2024Jul 8, 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