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This repository has been archived by the owner on Jun 7, 2024. It is now read-only.

ReactionMechanismGenerator/AutoFragmentModeling

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Caution

The functionality of AutoFragmentModeling has been incorporated into RMG-Py - this repository is deprecated!

AutoFragmentModeling (AFM)

Project Status

Build status

Description

An Automatic Fragment-based Modeling Tool for Large Chemical Systems.