Virtual drug discovery partnerships

What we do

Leverage our AI and physics-enabled technologies to accelerate your drug development and make more informed program choices. Our experts can partner with you through each step of the process, blending our cutting-edge drug development models and drug development expertise.

Make fewer molecules that don’t work

Generate and evaluate across multiple parameters faster in silico, before any synthesis

Model performance

To create safe, effective drugs faster, we've combined physicochemical simulations and AI into a state-of-the-art molecular simulation toolkit. With our toolkit, drug targets and candidates can be interrogated virtually with unprecedented accuracy and speed.

Benchmarked on the PDBBind 285 set (1)

Benchmarked on DEKOIS 2.0 (2)

ref. 1. https://pubs.acs.org/doi/10.1021/acs.jcim.8b00545, benchmark data available at http://www.pdbbind.org.cn/index.php, used for comparability with prior results
2. https://www.pharmchem.uni-tuebingen.de/dekois/, "DEKOIS 2.0: Demanding Evaluation Kits for Objective In silico Screening"

Tough targets. Future cures.

What we do

Make fewer molecules that don’t work

Model performance

Our research

Looking to learn more?

Tough targets. Future cures.

What we do

Make fewer molecules that don’t work

Model performance

Our research

Scientific Poster

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Drug Discovery

Discovering Novel Synthetic Lethal Pairs With Large Scale Cellular Simulations

Updated:

June 7, 2024

Scientific Poster

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Drug Discovery

Addressing Drug Discovery Challenges with a Multiscale Molecular Modeling Pipeline

Updated:

June 7, 2024

Blog

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Drug Discovery

We Spill the Beans: Deep Origin's AI- and Physics-Based Models for Drug Discovery

Updated:

May 8, 2024

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Discovering Novel Synthetic Lethal Pairs  With Large Scale Cellular Simulations