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 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