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Atomwise

AI superplatform that explores chemical space to discover novel, drug-like molecules

Enterprise·Technical·Powered by Proprietary ML (AtomNet)

Key strengths

AI-driven small-molecule drug discoveryExploration of vast chemical space beyond traditional screeningFocus on first- and best-in-class immune/inflammatory disease programsProprietary deep learning models for molecular binding predictionIntegrated superplatform combining ML with medicinal chemistry
Enterprise pricing
San Francisco, USA
Founded 2012
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Atomwise's core technology, AtomNet, is a deep convolutional neural network trained on large datasets of protein-ligand interactions to predict binding affinities with high accuracy. The superplatform enables virtual screening across billions of compounds in chemical space—orders of magnitude larger than any physical compound library. The system integrates structural biology data, molecular docking, and generative chemistry to propose and prioritize novel molecules. Atomwise partners with pharmaceutical companies and academic institutions, offering its platform as a service through collaborative research agreements rather than a public API.