Drug Discovery ML Pipelines Explained (explained with Coronavirus example)

Common Pitfalls of ML people going into Bio (and how to avoid them)

UPDATE : At the request of a client, the Github repo detailing the full backend for a drug discovery pipeline has been set to private, with access being granted to only specific individuals. The outline will still be available publically.

The Environment

Bio-specific libraries

In the bioinformatics/cheminformatics space, there are plenty of libraries and tools out there that might be new to you.

Running your First Experiments

Forking and Contributing


Cited as:

@article{mcateer2020ddmlcovid,
    title = "Drug Discovery ML Pipelines Explained (explained with Coronavirus example)",
    author = "McAteer, Matthew",
    journal = "matthewmcateer.me",
    year = "2020",
    url = "https://matthewmcateer.me/blog/drug-discovery-ml-covid/"
}

If you notice mistakes and errors in this post, don’t hesitate to contact me at [contact at matthewmcateer dot me] and I will be very happy to correct them right away! Alternatily, you can follow me on Twitter and reach out to me there.

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