Top Tweets for #ml4mol

almost 4 years ago

What do you do when you can't do one-hot encodings in Bayesian optimisation for chemical reactions? *My first preprint* 🫣 tells it! Presented at the Ellis #ML4Mol workshop, now on @ChemRxiv: https://t.co/dREkNqCX9w Work with @Ryan__Rhys, @Henrymossmoss and @pschwllr

6ojaHa's tweet photo. What do you do when you can't do one-hot encodings in Bayesian optimisation for chemical reactions?

*My first preprint* 🫣 tells it! Presented at the Ellis #ML4Mol workshop, now on @ChemRxiv: https://t.co/dREkNqCX9w

Work with @Ryan__Rhys, @Henrymossmoss and @pschwllr https://t.co/MnN0yn1I6l

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Philippe Schwaller (he/him) @pschwllr

almost 4 years ago

@foo_fighterin @gklambauer One of my favourite yearly events - awesome community! Thanks for organising this workshop! #compchem #ml4chem #ml4mol

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