RDKit UGM 2024 follow up

RDKit UGM 2024 follow up

Guillaume Godin Guillaume Godin

Guillaume Godin

Giving computers a sense of smell | Principal Machine Learning Engineer @ Osmo | Data Science Director | Science Reviewer

发布日期: 2024年9月14日
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This was as usual a great pleasure to meet lot of friends at Zurich this week. Thanks Greg Landrum and Sereina Riniker for the organisation, selected topics and the gift!

Really amazing update on InChI! Really amazing update on WebGPU!

A big thanks to Esben Jannik Bjerrum to have the great idea to make a renderer to review buggy SD/smiles during the Hackathon yesterday and Brian Kelley for his support on the c++ part. By the way Esben Jannik Bjerrum is looking for a job.

I also have to mention that I was not 100% focus this time due to a huge retrosynthesis challenge dead line (14h today). Thanks Yves Grandjean for sharing your last models that was really helpful and just in time.

Roger Sayle you will stay always our best "last" speaker. I found several implementation of the cluster algo see my comments in Discord.

And finally a big thanks to Takayuki Serizawa to come from Japan!

PS: Talia B. Kimber, PhD all my best wishes !

Talia B. Kimber, PhD

Senior Data Scientist

6 个月

Thank you, Guillaume Godin! It was another great UGM, and it was wonderful to see you again. Looking forward to next year!

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Takayuki Serizawa

Scientist @ Daiichi Sankyo | Organic Synthesis, Cheminformatics

6 个月

Thanks Guillaume Godin! I’m happy to meet and talk you at UGM. See you again!

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Greg Landrum

6 个月

Thanks Guillaume Godin, it was great, as always, to see you.

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Esben Jannik Bjerrum

AI, ML, Drug Discovery Consultant

6 个月

Thanks for the mention!

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