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About Us

At Atombeat, we are a passionate collective of scientists and innovators united by a singular goal: democratizing computational tools for drug discovery. Born from diverse scientific backgrounds, our small but driven team develops and harnesses cutting-edge AI and physics-based modeling to empower researchers globally.

We build rigorously validated platforms, designed to tackle challenging targets and accelerate the discovery of life-changing therapies. Every tool we create undergoes meticulous testing, ensuring state-of-the-art performance you can trust.

True to our commitment to open science, we openly share findings and contribute to the community, because progress thrives when knowledge has no boundaries. Together, we’re redefining what’s possible—one discovery at a time

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Jun. 2021

Launched Hermite® Computational Drug Discovery Platform.

Oct. 2021

Launched Uni-FEP module, enabling protein-ligand affinity computation at chemical accuracy.

Dec. 2021

Launched RiD module, addressing the sampling challenge in modeling large biomolecules. The work is published on Nature Computational Science.

Feb. 2023

Announced RiDYMO™ platform and latest advancement in targing c-Myc.

Nov. 2023

Published Uni-Mol Docking v2, which was benchmarked against AlphaFold 3 as the state-of-the art model.

Mar. 2024

Launched Uni-Dock v1.1 which is capable of screening 100 million ligands in just 8 hours and is integrated on NVIDIA BioNeMo.

Dec. 2024

RiDYMO™ platform successfully designs high-quality cyclic peptide, breakingthrough the limitation of natural amino acid.

Product Timeline

Jun. 2021

Launched Hermite® Computational Drug Discovery Platform.

Oct. 2021

Launched Uni-FEP module, enabling protein-ligand affinity computation at chemical accuracy.

Dec. 2021

Launched RiD module, addressing the sampling challenge in modeling large biomolecules. The work is published on Nature Computational Science.

Feb. 2023

Announced RiDYMO™ platform and latest advancement in targing c-Myc.

Nov. 2023

Published Uni-Mol Docking v2, which was benchmarked against AlphaFold 3 as the state-of-the art model.

Mar. 2024

Launched Uni-Dock v1.1 which is capable of screening 100 million ligands in just 8 hours and is integrated on NVIDIA BioNeMo.

Dec. 2024

RiDYMO™ platform successfully designs high-quality cyclic peptide, breakingthrough the limitation of natural amino acid.

Feb. 2025

Revamped Uni-FEP, which boasted enhanced performance and expanded functionalities.

Jun. 2021

Launched Hermite® Computational Drug Discovery Platform.

Oct. 2021

Launched Uni-FEP module, enabling protein-ligand affinity computation at chemical accuracy.

Dec. 2021

Launched RiD module, addressing the sampling challenge in modeling large biomolecules. The work is published on Nature Computational Science.

Feb. 2023

Announced RiDYMO™ platform and latest advancement in targing c-Myc.

Nov. 2023

Published Uni-Mol Docking v2, which was benchmarked against AlphaFold 3 as previous SOTA.

Mar. 2024

Launched Uni-Dock v1.1 which is capable of screening 100 million ligands in just 8 hours and is featured on NVIDIA's BioNeMo platform.

Dec. 2024

RiDYMO™ platform successfully designs cyclic peptide targeting β-catenin, breakingthrough the limitation of natural amino acid.

Feb. 2025

Revamped Uni-FEP, which boasted enhanced performance and expanded functionalities.

Meet Our Team

Liyu Wu
Head of Commercial
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Hang Zheng
Platform Development
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Xinyan Wang
Main developer of Uni-FEP
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Yuqing Deng
13 yrs at Schrödinger; led development of FEP+
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Guolin Ke
Head of ML
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Dongdong Wang
Computational Biology
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Zhengdan Zhu
Computational Chemistry
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Steve Pan
Strategy & Operation
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Xi Chen
Business Development
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Zhifeng Gao
AI & ML
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Jiayue Wang
Computational Biology
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Contact Us

Let's contact our team for collaboration.

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Browse Careers

We're currently looking for talented people to join our team. Please check the below job listing to see if it's for you!

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