Ísak Valsson retweeted
📜 Paper Alert! Our study describing AEV-PLIG is now out in @CommsChem
Our ML model, AEV-PLIG, achieves binding affinity predictions close to the accuracy of FEP+, while being around 400,000x faster, expanding the potential of ML in lead optimization
rdcu.be/d88Wm
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data bit.ly/4aYLrpx
Ísak Valsson retweeted
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
Ísak Valsson 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!



