AI-assistant MOF/HOF Design & Prediction Platform

An integrated platform providing access to three specialized MOF/HOF design and analysis tools

MOF/HOF Design Integrated Platform

This platform provides access to three specialized MOF/HOF design and analysis tools. Each module is designed to address specific challenges in metal-organic framework (MOF) and hydrogen-bonded organic framework (HOF) research, combining computational design with AI-assisted property prediction.

Select a module below to launch the specialized application in a new window. Each tool operates on a dedicated server with optimized algorithms for its specific purpose.

MOF Structure Design and Generation based on ToBaCCo

MOF generation and design based on the ToBaCCo (Topologically Based Crystal Constructor), enabling systematic construction and modification of MOFs.

Molecular Design: Customizable building blocks and linkers
MOF Generation: Automated construction of MOF structures
ToBaCCo: Systematic approach to MOF design

Launch ToBaCCo Module

AI-assistant MOF Generation and Property Prediction

AI-assisted MOF generation with integrated property prediction capabilities, leveraging machine learning for optimized material discovery.

AI Generation: Machine learning-driven MOF design
Structure Optimization: Energy minimization and stability assessment
Property Prediction: Adsorption, diffusion, and mechanical properties

Launch AI Assistant Module

HOF Generation, Assembly and Synthesis Prediction

Specialized tools for Hydrogen-bonded Organic Framework design, assembly prediction, and synthesis condition optimization.

HOF Generation: Design of hydrogen-bonded frameworks
Topology Construction: Network formation and connectivity analysis
Synthesis Prediction: Reaction conditions and feasibility assessment

Launch HOF Module

Platform Access Information

Each module runs on a dedicated server. Click on any module link above to launch the specific application.

Server Base IP:10.158.157.64 (campus access only)