Agent Mira
Material Innovation by Reactive Agent
Automating chemical materials research through intelligent search, AI-powered scientific models and computational workflows
Application Areas
Molecular Design
Structural Design
Computational Validation
Property Prediction
High-throughput Screening
Reaction Prediction
Condition Recommendations
Catalyst Design
Synthetic Route Planning
By-product Predic
Molecular Design
Material Property Prediction
Interpretable Model Iteration
Multi-Objective Optimization
Experiment Recommendation
Application Fields
Basic Chemical Industry
Fine Chemicals
C1 Chemicals
Advanced Materials
Research-grade Interaction
Multimodal Input Methods
- Search molecular databases
- Upload structural files for automated parsing
- Built-in sketching tools for freehand molecular design
Full-process Visibility and Control
- Full-process visibility and control
- Instant planning with real-time flexibility
- Card-style task interface with full version history
Flexible File Browsing and Download Mmethods
- Diverse navigation options for rapid browsing
- Interactive result visualization for multiple file types
- One-click download for end-to-end files and reports
Technology Foundation
User Interaction Layer Details
Professional Q&A
Basic Tool Invocation
Analysis, Summary, and Visualization
Complex Tasks
Intent Understanding
Task Orchestration
Task Execution
Analysis and Summary
Receive the orchestrated execution workflow
Workflow Orchestration Layer Details
Scenario Capabilities
Molecular Screening
Reaction Analysis
Design of Experiments (DoE)
Condition Optimization
Workflow Paradigms
Experience-driven: Deep Research Workflow
Mechanism-driven: Scientific Computing Workflow
Data-driven: Machine Learning Workflow
Receive specific instructions for tool invocation
ReactiveAI Platform - 6 Core Functional Modules
ReactGen
AI-driven Generative Design for Molecules & Reactions
Reactify
Computational Method Recommendation
ReactControl
AI-powered Real-Time Decision Model
ReactBO
Accelerator for Materials and Formulation Optimization
ReactNet
Autonomous Reaction Network Exploration
ReactHTE
Model-Guided High-Throughput Experimentation
Open-source Databases
PubChem
CCDC
USPTO
Material Project
Open Catalysts
OMol25
Open-source Databases
3 million-reaction database covering 11 common elements
2 million-Hessian matrix database
LLM-SDE
Self-developed Models
React-OT
OA-ReactDiff
LLM-EO
AlphaNet
T5Chem
Computational Tools
RDKit
Auto3D
CREST
xtb
GPU4PySCF
ORCA
Quantum Espresso
ABACUS
Capability Roadmap
Deep research on domain literature and patent
Enrichment of high-value datasets and knowledge bases
Upgrades to generative models and reaction-network algorithms
Visualization and analysis of scientific figures and charts
Integration with high-throughput automated workcells
Broader support for open-source ecosystem