I ran into TorchDrug a few months ago and it looks really useful. Is anyone in this community doing drug discovery using Julia? My question is mainly due to thinking about how useful/hard it would be to create a community around this topic in Julia. Any pointers would be greatly appreciated. I suspe…

Pumas doesn’t do drug discovery, it does drug development. Those are different parts of the process with different tools. For similar drug discovery stuff there’s Chemellia: https://github.com/Chemellia And that’s where you’ll find all of the stuff like atomic graph nets and graph transformers. h…

TorchDrug equivalence in Julia?

Specific Domains Machine Learning

DoktorMike April 2, 2022, 7:24pm 4

Great, thanks for the repos and links. I’ll dive in and learn more about them.

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TorchDrug equivalence in Julia?

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