An AI-driven drug discovery platform

The Entos platform combines innovations in AI-driven molecular design and high-throughput experimentation. Our technology-enabled team navigates the multi-parameter discovery landscape to deliver safe and highly targeted treatments for patients.

Platform

Illuminating novel chemical matter to unlock better development candidates

Entos Orbnet quantum AI

100x faster chemical exploration

High-throughput chemistry

1000x faster synthesis

High-throughput biology

1000x faster assays

Our work

Publications

Publication
Oct 3, 2022

Entos-Caltech-NVIDIA Collaboration

Multiscale generative diffusion models with equivariant transformers yield unprecedented accuracy for de novo protein-ligand structure prediction

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Publication
Aug 1, 2022

Entos-Caltech-NVIDIA Collaboration

Advances reported in geometric deep learning for computational chemistry in Proceedings of the National Academy of Science USA

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Publication
Nov 15, 2021

#COVIDisAirborne

AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

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Publication
Oct 25, 2021

UNiTE

Unitary N-body tensor equivariant network with applications to quantum chemistry

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Publication
Jul 5, 2021

OrbNet Denali

A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

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Publication
Nov 5, 2020

Multi-Task Learning for Electronic Structure to Predict and Explore Molecular Potential Energy Surfaces

Refine the OrbNet model to accurately predict energy, forces, and other response properties

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