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1. marcc-api marcc-api Public

   Python

2. Atom-matching-network Atom-matching-network Public

   Learning atom mappings in chemical reactions through deep graph matching

   Python 2 3

3. SAMMNet SAMMNet Public

   This repository contains the codebase for the paper: "Enhancing Atom Mapping with Multitask Learning and Symmetry-Aware Deep Graph Matching."

   Python 1 1

4. Mobility_Network Mobility_Network Public

   Jupyter Notebook

5. MoleculePropertyPrediction MoleculePropertyPrediction Public

   This repository aims to leverage pretrained neural networks for predicting node labels in molecular graphs, with a focus on fine-tuning for molecular property prediction tasks. The dataset used for…

   Python

6. Projects Projects Public

   self study projects