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MiCaM Ensemble

Exploring motif vocabularies and ensemble strategies for molecular graph generation.

Code
Geometric graph fragments joining into a larger network above a set of motif tiles
Concept illustration of motif composition.

Overview

This project extends MiCaM to explore how different motif-mining and ensemble choices affect molecular graph generation. It connects an interest in structured representations with the construction of molecular structures.

The repository contains alternative vocabulary-construction strategies, changes to preprocessing and model components, and experiment logs for comparing these variants.

Attribution

Built on MiCaM by MIRALab-USTC. This project presents my extensions and experiments; the original MiCaM framework is credited to its authors.

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