Experience Hyper Lab's AI-driven molecule design

AI Platform For Drug Discovery Researcher

When you need
AI for your research,
start Hyper Lab with just a click

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Hyper Lab focuses on the specific concerns
of medicinal chemists


I want to design a novel
molecular structure.


I want to prioritize experiments
through the predictions of
drug-protein interactions.


I want to figure out the cause of
activity change between
various derivatives.


I want to find hit compounds
through virtual screening.


I want to utilize AIs
for drug discovery research.


I want to reduce the costs of purchasing software
for drug discovery research.

Find clues to long-standing questions with Hyper Lab


Suggest novel molecules with a single click

Experiment Priority

Decide priority of experiments with
accurate activity predictions using AI

3D Structure Analysis

Understand the mechanism of biological
activity through intuitive 3D structure

Hyper Screening

Screening of
one million molecules in a day

Easy to Start

Get started now without complicated
setup or instructions

Seamless Flow

From virtual screening to bioactivity
prediction and molecular structure design,
all at once


From hit discovery to ADME/T prediction, all in one place

Large-scale virtual screening

Structure-based activity prediction

Novel molecule design

in-vitro ADME/T prediction


The Hyper Lab is constantly evolving with the state of the art
technologies proven with the papers

Hyper Binding

PIGNet: a physics-informed deep learning model toward generalized drug–target interaction predictions.

Chem. Sci., Advance Article (2022)

Read more
Hyper Design

Molecular generative model based on adversarially regularized autoencoder.

Journal of Chemical Information and Modeling, 60, 29 (2020)

Read more
Hyper Design

Molecular generative model with conditional variational autoencoder.

Journal of Cheminformatics, 10, 31 (2018)

Read more

Protecting your data safety is
our top priority


AWS Cloud security

AWS has one of the world's best security environment, and all our user data are managed in this environment.


Data encryption

Database and storage is encrypted to safely protect user data and prevent from data leakage.


Network separation

Unauthorized resource access to user database is blocked via network separation.

Boost your competitiveness
in the digital age,
begin now with Hyper Lab

Free trial
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