2024-01-03

This is Marco's daily open-notebook.

Today is 2024.01.03

Notes

package to use (maybe) : pip install obonet use Networkx (should be already installed in with grape library )

Thoughts

I think there should be 2 node types :

  • "biolink:OrganismTaxon" because species or phylogenies are all part of a taxonomy
  • "biolink:ChemicalEntity" because molecules and molecule classes are all biological entites

There should also be 2 edge types:

  • "biolink:subclass_of" because in the end each subnode is part of another node
  • "found in" (still need to find the correct one) for linking molecules with species

Also the graph should be directed I think (same thoughts as in here )

Todo today

  • get all species from LOTUS (locally), run on the cluster to get the phylogeny.
  • create species phylogeny
  • link species to molecules
  • create Classyfire phylogeny
  • link molecules to Classyfire ā†’\rightarrow problem : I downloaded only the inchikey and not the Inchi so I can't run Classyfire. Needs a fix.

After that the data should be ready for grape

Doing

To get full LOTUS https://w.wiki/8jtH

Done

Todo tomorrow