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This is Luca Cappelletti's DBGI daily open-notebook.
Today is 2023.07.25
Todo today
- Call with Pierre-Marie Allard to discuss the ENPKG Workflow
- Write a command that runs for the test data made available on Zenodo that can be later adapted to be a test suite.
- Clarify what are the functionalities requested from the following dependencies:
- opentree - One of several options to map a species to a taxon id
- pandas json_normalize - Just an ease of life function.
- sqlite3 - Used to look up on Chembl APIs, and we store the data in a sqlite3 database. It is just a local cache of the data.
- rdkit - To be cleared up afterwards.
- chembl_webresource_client - Web APIs to request stuff such as bioactivity of compounds from the ChEMBL database.
- what is npscorer? - Natural product likelyness scorer, a tool to score natural products. Not necessarily known what is being used for in the pipeline.
- matchms -
- canopus - Link from spectra to chemical class.
- Why is NetworkX being used for connected components?
- Start to define a reasonable time line for pipeline refactoring
- Planned for module 2nd (on the 7th afternoon) and 3rd (on 10th)
- Plan for the next visit in Fribourg
- From 28 to 31 of August
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