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CLOOME "solves" a problem that appears almost impossible for human experts with 9% top-10 accuracy: given an image of molecule-perturbed cells, identify the correct molecule out of given ones! Presented today at 12pm (ET) at the #MLDD workshop of #ICLR. openreview.net/forum?id=OdXKR…

Next week at M2D2, Philipp Seidl will show us how to use a representation of a reaction template and the associative memory of a Modern Hopfield Network to improve the generalization and performance of template relevance prediction in retrosynthesis. Join us Tue (May 24) at 10am ET!

"Contrastive learning of image- and structure-based representations in drug discovery" by Ana Sanchez-Fernandez from Günter Klambauer group has been published as part of ICLR2022 Machine Learning for Drug Discovery openreview.net/forum?id=OdXKR…. Congratulations Ana with the first article!

Great talk today by Emma Svensson introducing her work on ”Task-specific parameter prediction in proteo-chemometrics modelling” during her secondment to Helmholtz Munich | @HelmholtzMunich

Really looking forward to presenting our work CLOOB, a multi-modal contrastive learning method, at #NeurIPS2022 🤩🤩🤩See you at our poster! 🫵

Join us at the ELLIS ML4Molecules workshop on Nov 28. Lots of exciting talks and I will be giving an oral presentation of our work on "Task-conditioned modeling of drug-target interactions".

yperTuning: a hyper-network is used to adapt a large language model to new tasks without fine-tuning arxiv.org/abs/2211.12485…. We used a similar approach to adapt activity prediction models to new proteins: HyperPCM, soon at AI for Science @NeurIPS2022: openreview.net/forum?id=dIX34…

HyperPCM for predicting drug target interactions: Join us today at the poster session of the AI for Science workshop at #NeurIPS2022. 12:05pm-1pm and 5:10pm-6pm, room388! https://bsky.app/profile/aidd.bsky.social

HyperPCM has been published in JCIM🧬 It's the first HyperNetwork dedicated to learning drug-target interactions with enhanced generalization to zero-shot tasks! 📰pubs.acs.org/doi/10.1021/ac… 🤗huggingface.co/spaces/emmas96… Work with Pieter-Jan Hoedt Sepp Hochreiter Günter Klambauer in https://bsky.app/profile/aidd.bsky.social.

Thrilled to have presented our HyperPCM model in the #M2D2 talk series at Valence Labs. Thanks to all who joined, and a special thanks to Prudencio M Tossou for the kind invitation! 🙏 Catch the recording and paper here, pubs.acs.org/doi/10.1021/ac… youtube.com/watch?v=H-QQRx… https://bsky.app/profile/aidd.bsky.social

HyperPCM: Robust Task-Conditioned Modeling of Drug–Target Interactions pubs.acs.org/doi/10.1021/ac… Emma Svensson Pieter-Jan Hoedt Sepp Hochreiter Günter Klambauer #JCIM Vol64 Issue7 #MachineLearning #DeepLearning