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Agentic AI and Physical Intelligence for Autonomous

Science Discovery

Agentic AI and Physical Intelligence for Autonomous Science Discovery

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05 Technology

XtalPi Science: Transforming the future of science

XtalPi Science orchestrates scientific and physical intelligence through Multi-Agent—connecting human scientists and external models to drive dry–wet experimental iteration.

Human Scientists

Access Invoke
capabilities

XtalPi Science

Agentic AI

Multi-Agent
Intelligent Hub

Genius Agents interpret scientific intent and orchestrate domain AI models with Physical AI lab robots—driving autonomous dry–wet experimental iteration.

Orchestration

Scientific AI

Domain AI Models
for Molecular Discovery

Dry lab

Trained on our compound and reaction data, 200+ vertical domain AI models power intelligent experimental design, prediction, and analysis—a chemistry superbrain.

Dry–wet loop

Physical AI

Embodied Lab
Robots

Wet lab · Physical AI

Physical AI brings AI into the physical world—proprietary chemical automation and lab robots that run 24/7 wet-lab execution and data capture, with customizable deployments.

API Model access

External Models

Human Scientists

Science Token Invoke models

XtalPi Science

Agentic AI

Genius Agents
Intelligent Hub

Genius Agents interpret scientific intent and orchestrate domain AI models with Physical AI lab robots—driving autonomous dry–wet experimental iteration.

Orchestration

Scientific AI

Domain AI Models
for Molecular Discovery

Dry lab

Trained on our compound and reaction data, 200+ vertical domain AI models power intelligent experimental design, prediction, and analysis—a chemistry superbrain.

Dry–wet loop

Physical AI

Embodied Lab
Robots

Wet lab · Physical AI

Physical AI brings AI into the physical world—proprietary chemical automation and lab robots that run 24/7 wet-lab execution and data capture, with customizable deployments.

API Model access

External Models

Learn more

03 Solutions

Driving molecular discovery forward

Our diverse range of solutions are fully customizable for the needs of your drug discovery and development projects.

Autonomous Lab Solution

Physical AI
deployment

Physical AI
Deployment

Agents & Software platforms

Drug
discovery

Discovery
chemistry

Solid state
research

04 Our approach

Cutting-edge approaches to scientific innovation

AI-Powered Molecule Deisgn

Explore how our digital chemistry platform allows discovery scientists to extract patent data, explore novel chemical space, and quickly identify promising drug candidates.