Richard Michael
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rdmichael.bsky.social
Richard Michael
@rdmichael.bsky.social
PhD student at University of Copenhagen, @DIKU, @KU_BioML group, DDSA fellow.
I'm very grateful for the work w/ Simon Bartels and @miguelgondu.bsky.social, who did the heavy lifting on the libraries, CI/CD, testing, PR reviews, up-to-date docs, and much more.

Thanks to the generous support and funding by the MLLS center and the #DDSA!
December 12, 2024 at 4:15 PM
With the tasks in place, we can run and assess different optimizers.

A range of solvers is available in the `poli-baselines` package,
here: github.com/MachineLearn....

The docs on how to get set up and contribute, are here: machinelearninglifescience.github.io/poli-docs/
GitHub - MachineLearningLifeScience/poli-baselines: A collection of objective functions and black box optimization algorithms related to proteins and small molecules
A collection of objective functions and black box optimization algorithms related to proteins and small molecules - MachineLearningLifeScience/poli-baselines
github.com
December 12, 2024 at 3:56 PM
We developed the `poli` package for easy access to (bio-chemical) black-box functions (cf. TDC, protein stability, ...) and synthetic tasks, with under-the-hood isolation.

Repo: github.com/MachineLearn...
License: MIT (unless a blackbox says otherwise)
A quick install away: `pip install poli-core`
GitHub - MachineLearningLifeScience/poli: A library of discrete objectives
A library of discrete objectives. Contribute to MachineLearningLifeScience/poli development by creating an account on GitHub.
github.com
December 12, 2024 at 3:50 PM