
(he/him) 🏳️🌈🇪🇺 | @g_m_m@mastodon.social | @morrislab@fediscience.org | https://xitter.cf/t.co/5r5oZj0fN6
Joined April 2007
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We already have some exciting speakers lined up for the 7th @RSC_CICAG / @RSC_BMCS Artificial Intelligence in Chemistry Symposium this September 16-18, 2024, including:
• John Jumper, Google DeepMind, UK
• Heather Kulik, MIT, USA
…
rscbmcs.org/events/aichem7/
#AIChem24
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Garrett M. Morris retweeted
"it's just a tool though, isn't it?"
"no it's not, no - it's an alien life form"
David Bowie's insights on the internet from 1999 sound exactly like he's talking about AI today
Garrett M. Morris retweeted
Congratulations to @isakvals on winning the prestigious People’s Poster Prize at the RSC’s 7th "AI in Chemistry" symposium!
🔎Ísak’s research is on developing the AEV-PLIG method within @gmm's group
🔗: stats.ox.ac.uk/news/isak-val…
#AIChem24

ALT A photo of a tall, white man with curly dark brown hair wearing glasses, a dark blue polo with white undershirt and fade dark blue trousers has his hands in his pockets while standing next to a dark blue poster board to his left (our right). The poster board is holding an A1 poster featuring images and text about the man's research. Next to this photo, to the right, is text that reads: “Ísak Valsson, People’s Poster Prize Winner, at the RSC’s 7th “AI in Chemistry” symposium”. This is all set against a dark blue background, with a spotted pattern in light grey, dark grey, and light blue against white behind the photo.
Garrett M. Morris retweeted
Posebusters, work by Martin @Buttenschoen, Garrett Morris (@gmm) & Charlotte Deane that identifies physically implausible molecular binding predictions, was featured by @nathanbenaich and @airstreet Capital in this year's State of AI Report.
Full report: stateof.ai/2024-report-launc…
Congratulations to @isakvals on winning the RSC’s 7th AI in Chemistry People’s Poster Prize today! :-)
Very proud of Ísak and his hard work developing AEV-PLIG in my group: doi.org/10.26434/chemrxiv-20…
Great collab w/ @philbiggin @matthewthwarren & @aniket_magarkar
#AIChem24 #AI
Garrett M. Morris retweeted
Replying to @OPIGlets @arun_raja007
Finally, Yael Ziv gave a talk on her recent work MolSnapper, which demonstrates how diffusion models can be effectively conditioned for structure-based drug design.
Check out the preprint here:

biorxiv.org/content/10.1101/…
Garrett M. Morris retweeted
Finally, @arun_raja007 has explored the effectiveness of quantum chemistry pre-training GNNs for pharmacological property prediction openreview.net/pdf?id=ffSLXl…
Garrett M. Morris retweeted
@LucyVost tells us how we can improve chemical plausibility in 3D molecule generation via conditional training with distorted molecules (preprint coming soon!)
Garrett M. Morris retweeted
First the posters! @isakvals is presenting his recent work on AEV-PLIG, a machine learning scoring function for binding affinity prediction chemrxiv.org/engage/chemrxiv…
Garrett M. Morris retweeted
OPIGlets are out in force at #AIChem24, organised by our very own @gmm DPhil students @LucyVost, @arun_raja007 and @isakvals are presenting posters, and Yael is giving a talk about her recent work MolSnapper on Wednesday! Please come and chat to them!
Garrett M. Morris retweeted
we made this: hasanyone.com/
Registration is now open: rscbmcs.org/events/aichem7/
You can also submit your abstracts for oral presentations and/or flash talks and poster presentations; deadlines:
• Oral: Midnight (BST), Friday, 12 April 2024;
• Posters: Midnight (BST), Friday, 3 May, 2024.
#AIChem24
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We also have RSC bursaries for students and unwaged attendees.
Thank you to our early sponsors, @AstraZeneca, and exhibitors, @BioAscent. If you're interested in sponsoring or exhibiting or want to learn more:
rscbmcs.org/events/aichem7/
#AIChem24
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We're delighted to be hosting @dr_greg_landrum on Mon Nov 20th at Comp Chem Kitchen CCK-20 — 5 pm GMT in @OxfordStats 24-29 St Giles', OX1 3LB; register for Zoom. Refreshments at 4:30 pm. compchemkitchen.org/2023/10/… @CompChemKitchen @philbiggin @coopallographer @fjduarteg @bobbypaton
Garrett M. Morris retweeted
We are excited - and proud - report that, over the last 9 months, BDB curated and shared103K open-access, machine-readable protein-ligand binding data, melding it with the 74K new binding data curated by ChEMBL, for a total 177K increase in our holdings.
Garrett M. Morris retweeted
Talk: "John Mayfield: Managing and Searching One Trillion Compounds" presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld
nextmovesoftware.com/talks/M…
Garrett M. Morris retweeted
The new PoseBusters paper does some super neat docking experiments! arxiv.org/abs/2308.05777
E.g. how DL methods generalize to different levels of seq similarity.
And impact of relaxing DL structures on steric clashes etc. captured in the PoseBusters score.













