/tools/MOFDiff

MOFDiff

microsoft/MOFDiff

GitHub
materialsoptimizationgenerationsimulationtool
60 stars9 forksPythonAdded February 5, 2026
summary

MOFDiff is a diffusion model designed for generating coarse-grained structures of metal-organic frameworks (MOFs). It includes functionalities for optimizing these structures based on specific properties and simulating their behavior in gas adsorption scenarios.

description

Coarse-grained Diffusion for Metal-Organic Framework Design

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