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https://github.com/cadet/rdm-example-batch-elution

https://github.com/cadet/rdm-example-batch-elution

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    2 of 3 committers (66.7%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (10.3%) to scientific vocabulary
Last synced: 10 months ago · JSON representation

Repository

Basic Info
  • Host: GitHub
  • Owner: cadet
  • Language: Python
  • Default Branch: main
  • Size: 26.4 KB
Statistics
  • Stars: 0
  • Watchers: 3
  • Forks: 0
  • Open Issues: 2
  • Releases: 0
Created over 1 year ago · Last pushed about 1 year ago
Metadata Files
Readme

README.md

Batch Elution Simulation with CADET

This repository contains example simulations of a Batch Elution process using CADET-Process and CADET-RDM. A two-component system with a Langmuir isotherm binding model and a LumpedRateModelWithoutPores unit operation model is simulated. Following this, the operating conditions are optimized to maximize process performance. This can be achieved by combining multiple parameters into a single objective (optimization_single.py) or by setting up a multi-objective problem (optimization_multi.py).

Authors

  • Johannes Schmölder
  • Katharina Paul
  • Ronald Jäpel
  • Hannah Lanzrath

Running the Example Simulation

  1. Clone this repository.
  2. Set up the environment using the environment.yml file.
  3. Run the simulation:

bash python main.py

The results will be stored in the src folder inside the output directory.

Note: Running cadet-rdm requires Git LFS, which needs to be installed separately.

  • Ubuntu/Debian:

bash sudo apt-get install git-lfs git lfs install

  • macOS (with Homebrew):

bash brew install git-lfs git lfs install

Output Repository

The output data for this case study can be found here: Link to Output Repository

Owner

  • Name: CADET
  • Login: cadet
  • Kind: organization
  • Email: cadet@fz-juelich.de

GitHub Events

Total
  • Issues event: 2
  • Issue comment event: 1
  • Push event: 5
  • Create event: 1
Last Year
  • Issues event: 2
  • Issue comment event: 1
  • Push event: 5
  • Create event: 1

Committers

Last synced: about 1 year ago

All Time
  • Total Commits: 14
  • Total Committers: 3
  • Avg Commits per committer: 4.667
  • Development Distribution Score (DDS): 0.143
Past Year
  • Commits: 14
  • Committers: 3
  • Avg Commits per committer: 4.667
  • Development Distribution Score (DDS): 0.143
Top Committers
Name Email Commits
Katharina Paul k****l@r****e 12
r.jaepel r****l@g****m 1
Ronald r****l@f****e 1
Committer Domains (Top 20 + Academic)
fz-juelich.de: 1 rwth-aachen.de: 1

Issues and Pull Requests

Last synced: about 1 year ago

All Time
  • Total issues: 2
  • Total pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Total issue authors: 1
  • Total pull request authors: 0
  • Average comments per issue: 0.0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 2
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 1
  • Pull request authors: 0
  • Average comments per issue: 0.0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • ronald-jaepel (2)
Pull Request Authors
Top Labels
Issue Labels
Pull Request Labels

Dependencies

environment.yml conda
  • cadet
  • jupyterlab
  • jupyterlab-myst
  • pip
  • python 3.10.*