#CompChem

Cyrille Lavigne

c_lavigne

a lot of #MachineLearning & #ML4Molecules work is based on the idea that molecular structure encoded in eg SMILES is the essence of chemistry. just FYI for CS people, graphs

Heidi Klem

HeidiKlem

Thread alert : I used to never wear skirts and heels to academic conferences because I felt the need to blend in, to hide my femininity in order to earn

Iñigo Iribarren

inigo_iribarren

Hi my name is Inigo Iribarren and I am taking part in #GlobalScienceShowToday I will be talking about computational chemistry works and what do we do in our daily life

Philippe Schwaller

pschwllr

1/ One of the final pieces of my PhD is out in @NatMachIntell. Let’s explore chemical reaction space using language models!Article: https://rdcu.be/cenmd Blog: https://ibm.co/3t0kzPw Code: https://github.com/rxn4chemistry/rxn

John Chodera (he/him)

jchodera

I gave our annual State of the Lab address this week! I shamelessly borrowed the idea from Ken Dill--an incredibly clear communicator--who would annually dive into what we had done,

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