lrDMS datasets

This zenodo archive contains the processed data for the publication "Microdroplet screening rapidly profiles a biocatalyst to enable its AI-assisted engineering". The unprocessed nanopore and illumina data are available via the European Nucleotide Archive (ENA).

Code is available at github.com/Hollfelder-Lab/lrDMS-IRED

If you use this data in your work, please cite the paper. 

Fitness scores in this dataset correspond to log-enrichment factors over wild type. For a detailed description of the fitness values, please refer to the paper.

We use the following file naming convention: `--_data.csv`    - ``: The name of the wildtype enzyme.    - ``: The names of the key substrates seperated by underscores (Co-factors like NADPH are not included)    - ``: Whether the dataset summarizes active or inactive variants.

`srired-mepy-active_data.csv`: Variants with measurable lrDMS fitness scores for variants derived from the SrIRED wildtype enzyme on MePy.

`srired-chx_cpa-active_data.csv`: Variants with measurable lrDMS fitness scores for variants derived from the SrIRED wildtype enzyme on CHX and CPA.

`srired-chx_cpa-inactive_data.csv`: Variants with no discernable activity (no output counts despite sufficient input counts) for variants derived from the SrIRED wildtype enzyme on CHX and CPA.

`srired-chx_menh2-active_data.csv`: Variants with measurable lrDMS fitness scores for variants derived from the SrIRED wildtype enzyme on CHX and MeNH2.

`pcired-tecalcet-active_data.csv`: Variants with measurable lrDMS fitness scores for variants derived from the PcIRED wildtype enzyme on the tecalcet drug candidate substrate.

For more information on these enzymes, substrates and study setup, please refer to the paper.