Cas
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caswognum.nl
Cas
@caswognum.nl
Trying to teach machines (and myself) drug discovery at Valence Labs and Polaris.

www.caswognum.nl

🇳🇱🇨🇦
I’ll write up some more detailed thoughts and takeaways once I’m back in Montréal and have a minute!
March 27, 2025 at 6:03 PM
Volgens mij ga je hierin voorbij aan het doel om elkaar beter te begrijpen. De nadruk ligt daarmee op het woord, niet de intentie.

Ik ben oprecht benieuwd hoe je hier over denkt als journalist.

Zet mij in ieder geval aan het denken!
February 14, 2025 at 3:31 AM
Verrijkend gesprek! Leuk!

Ik hoor een interessante tegenstelling: Enerzijds blijkt taal voor interpretatie vatbaar, maar anderszijds discussiëren jullie specifieke woordkeuze.

Taal doet er toe - zeker als journalist - maar ik vraag me hardop af of je woordkeuze zo niet té veel macht geeft…
February 14, 2025 at 3:31 AM
Would be cool to see how OpenFold does on this new benchmark! 👀
February 8, 2025 at 1:39 PM
(And the science, of course!)
February 8, 2025 at 1:37 PM
Love the logo and name! 🎸
February 8, 2025 at 1:37 PM
And if you're curious, you can learn more about what we actually mean by "ML-ready" in our recent blog: polarishub.io/blog/reprodu...
Polaris
The benchmarking platform for drug discovery
polarishub.io
February 8, 2025 at 1:35 PM
A few weeks back I got in touch with @ninjani.bsky.social about creating a "ML-ready" version of a PLINDER dataset. Excited to release a first attempt at this!

💬 Let us know how we did
discord.gg/uGCZB7PXmX

bsky.app/profile/dkoe...
Agree with having all the data available, don’t agree with requiring extra steps to get “good” training set - should require extra steps to get all data (eg like you do with columns). I talked with too many ML researchers who were using molecular data uncritically this week: make default reasonable.
February 8, 2025 at 1:35 PM
February 8, 2025 at 1:16 PM
@polarishub.io has a benchmarking API which ensures you use the exact same split and metrics as everyone else. See the screenshot.

We're aiming to serve as a source of truth for machine learning in drug discovery. For context, see: polarishub.io/blog/reprodu...

Would love to hear your feedback!
February 7, 2025 at 3:05 PM
Interesting!

This would be a nice “baseline” to have for the associated Polaris benchmark. polarishub.io/benchmarks/b....
adme-fang-reg-v1
biogen
polarishub.io
February 7, 2025 at 11:51 AM
With the increased activity on the platform recently, things have been breaking in new ways (sorry Windows users!), but I love it!

It shows that people are actually using Polaris! Our team is fixing issues as soon as we can and it’s helping us improve the overall robustness. Keep ‘m coming! 🏗️
February 4, 2025 at 5:37 PM