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Leash Bio

@leashbio

Unleashing machine learning to solve medicinal chemistry
Salt Lake City, UT leash.bio Joined August 2021
28 Following 374 Followers 21 Posts

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Leash Bio @leashbio
We’re happy to share some of Leash’s latest ML results. Our model, Hermes, is competitive with Boltz-2 on binding prediction. Importantly, Hermes is trained exclusively on Leash DEL data. In other words, the plan is working. leashbio.substack.com/p/good-binding…
leashbio.substack.com Good binding data is all you need We trained a simple model on huge amounts of in-house data and match state-of-the-art small molecule-protein binding prediction
Leash Bio @leashbio
We are also launching our inaugural machine learning Kaggle competition, Big Encoded Library for Chemical Assessment (BELKA), leveraging a dataset of unprecedented scale: kaggle.com/competitions/l…

#MachineLearning #AI #ML #TechBio #kaggle
www.kaggle.com NeurIPS 2024 - Predict New Medicines with BELKA Predict small molecule-protein interactions using the Big Encoded Library for Chemical Assessment (BELKA)
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