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elotus-trees

Repository for first explorations on lotus data.

tl;dr

Normally, all paths and parameters are externalized in paths.yaml and config/default/params.yaml. This means you should not need to modify any arguments in R scripts. If anyone feels uncomfortable with this way to do, shout out loud. We might also implement those arguments as command line arguments.

Required packages

They should install from themselves if you do not have them. Only thing you will probably need to configure is remotes as described here.

Working scripts

  • inst/scripts/count_npclasses.R
  • inst/scripts/papers_taxa_correlation.R (no output written for now)
  • inst/scripts/prepare_pseudoabsence_tables.R
  • inst/scripts/prettyStructuresTable.R
  • inst/scripts/prettyTree.R

TODO

  • Add the possiblity to select the structures by their InChI key. This would allow to dig deeper in the "phylogeny" of the chemical structures.

This README will be improved over time.

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