HyperLab — AI drug discovery Platform

Small Molecule Discovery

Hyper Design

Hyper Design is a core feature of HyperLab that automatically generates and optimizes molecular structures based on AI.

Automated Molecular Design

Based on the input molecule's structure and the binding site information of the target protein,
AI automatically designs new molecular structures through R-group replacement.

Substitution Site Selection & Suggestion

Users can directly select substitution sites or receive automatic suggestions from AI, with up to 50 candidate molecules generated for each substitution site.

Hierarchy-Based Design Management

Generated molecules are organized into a hierarchical tree, enabling systematic management of the design process.

Design novel molecules with AI

With just a few clicks, AI can recommend 50 novel molecules.

You can improve the activity of molecules

AI searches through countless molecular structures and suggests structures with improved binding scores.

You can partially change the structure of hit molecules

You can select only the parts you want to change in the structure of the hit molecule, keeping the core part unchanged.

You can substitute existing fragments or add new fragments at desired locations.

You can manage molecules according to the molecular design flowchart

Molecular design is not a one-time task, but a process that involves proposing and validating various ideas throughout the drug development process.

Visualizing this process helps to efficiently manage molecular design ideas and create new design ideas.

Design novel molecules with AI

With just a few clicks, AI can recommend 50 novel molecules.

You can improve the activity of molecules

AI searches through countless molecular structures and suggests structures with improved binding scores.

You can partially change the structure of hit molecules

You can select only the parts you want to change in the structure of the hit molecule, keeping the core part unchanged.

You can substitute existing fragments or add new fragments at desired locations.

You can manage molecules according to the molecular design flowchart

Molecular design is not a one-time task, but a process that involves proposing and validating various ideas throughout the drug development process.

Visualizing this process helps to efficiently manage molecular design ideas and create new design ideas.

1. Turn your idea into design results

Generate multiple candidates from a single research idea, compare them side by side, and steer toward the direction you want — cutting research time at every step.

2. Hundreds of structure predictions, faster

K-Fold runs hundreds of structure predictions at once and returns results up to 30× faster than AlphaFold — saving you time and cost.