gmm's profile picture. (he/him) 🏳️‍🌈🇪🇺 | @g_m_m@mastodon.social | @morrislab@fediscience.org | http://linkedin.com/in/garrettmorris

Garrett M. Morris

@gmm

(he/him) 🏳️‍🌈🇪🇺 | @[email protected] | @[email protected] | http://linkedin.com/in/garrettmorris

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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 1/n


Garrett M. Morris reposted

"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 reposted

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-vals… #AIChem24

OxfordStats's tweet image. 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-vals…

#AIChem24

Garrett M. Morris reposted

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-la…


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/chemr… Great collab w/ @philbiggin @matthewthwarren & @aniket_magarkar #AIChem24 #AI


Garrett M. Morris reposted

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/10.110…


Garrett M. Morris reposted

Finally, @arun_raja007 has explored the effectiveness of quantum chemistry pre-training GNNs for pharmacological property prediction openreview.net/pdf?id=ffSLXl6…

OPIGlets's tweet image. Finally, @arun_raja007 has explored the effectiveness of quantum chemistry pre-training GNNs for pharmacological property prediction openreview.net/pdf?id=ffSLXl6…

Garrett M. Morris reposted

@LucyVost tells us how we can improve chemical plausibility in 3D molecule generation via conditional training with distorted molecules (preprint coming soon!)

OPIGlets's tweet image. @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 reposted

First the posters! @isakvals is presenting his recent work on AEV-PLIG, a machine learning scoring function for binding affinity prediction chemrxiv.org/engage/chemrxi…

OPIGlets's tweet image. First the posters! @isakvals is presenting his recent work on AEV-PLIG, a machine learning scoring function for binding affinity prediction chemrxiv.org/engage/chemrxi…

Garrett M. Morris reposted

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!


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/2023/10/24/sav… @CompChemKitchen @philbiggin @coopallographer @fjduarteg @bobbypaton


Garrett M. Morris reposted

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.

BindingDb's tweet image. 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 reposted

Talk: "John Mayfield: Managing and Searching One Trillion Compounds" presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld nextmovesoftware.com/talks/Mayfield…

nmsoftware's tweet image. Talk: "John Mayfield: Managing and Searching One Trillion Compounds" presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld
nextmovesoftware.com/talks/Mayfield…

Garrett M. Morris reposted

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.

HannesStaerk's tweet image. 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.
HannesStaerk's tweet image. 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.

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