Defining the limits of plant chemical space: challenges and estimations

This repository contains code and data described in detail in our paper (Engler Hart et al., 2025).

Table of Contents

• Citation
• Reproducibility
• Data

Citation

If you have found our manuscript useful in your work, please consider citing:

Engler Hart, C, et al. (2025). Defining the limits of plant chemical space: challenges and estimations. BioRxiv, XXXXXX. .

Reproducibility

To reproduce the results, the Python virtual environment can be installed using Poetry.

Rerun the notebooks

Run the notebooks located in the notebooks corresponding to each analysis. The prefix of the notebooks indicates the order in which it is run. The notebooks reproduce the figures in the manuscript and supplementary.

Data

Datasets are publically available and can be directly downloaded from https://zenodo.org/records/14618408. The files should be unzipped and placed in the data directory.

Furthermore, the directory data contains all the figures of the manuscript (generated by the notebooks) as well as the raw and intermediary files (also generated by the notebooks).