Indaba Grand Challenge: Curing Leishmaniasis by Deep Learning Indaba
3000 Zindi Points
The official competition of the Deep Learning Indaba 2020
315 data scientists enrolled, 24 on the leaderboard
HealthReinforcement LearningSDG3
Africa
29 June 2020—31 May 2021
Ends in 21 days
Potency in starter notebook "Bootstrap notebook"
published 15 Apr 2021, 17:20

If I understand correctly, the starter notebook "Bootstrap notebook" trains models to predict -log(Standard Value) where "Standard Value" is potency. Is there a consensus on what values of potency indicate that a molecule is a good candidate or is that part of the problem?

You are looking at a wrong outdated notebook. Apologies is there. the actual starting notebool is https://gitlab.com/instadeep-public/grandchallenge/-/blob/master/IndabaChallenge.ipynb

Thanks for the reply. The notebook you linked to looks like it produces a .pdb file when given a protein and a ligand. Is this correct?

I thought that you would use the Bootstrap notebook to find good candidates for a protein-ligand pair (via machine learning), and then use pyrosetta to evaluate the pair and produce a .pdb file. Is this correct?

Thanks.