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CC BY-NC-SA 4.0 DOI:10.26434/chemrxiv-2024-5mmvj

Code related to publication titled Enhancing LC×LC separations through Multi-Task Bayesian Optimization

The provided notebooks follow the synthetic example described in Section 4.1 of the paper. A logical order to follow while viewing the notebooks is:

  • setting_up_a_2DLC_system.ipynb
  • cross_validation.ipynb
  • ax_mtbo.ipynb

Installation:

conda env create --file install_environment.yml
conda activate AutoLC-MTO

The actual code used for testing the algorithm on the real experiments is very similar but is less straightforward to run as it requires an advanced laboratory setup. Please do not hesitate to contact me if you need further clarification on this.

When using this code, please cite: DOI:10.26434/chemrxiv-2024-5mmvj

This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.

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Multi-Task Bayesian Optimization for Liquid Chromatography

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