kdmsit/Awesome-Crystal-GNNs

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kdmsit/Awesome-Crystal-GNNs

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This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials

crysgnn

CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)

crysxpp

CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)

crysmmnet

CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)

HAIN

Implementation of HAIN in paper IEEE BigDATA 2020: "Hypergraph Attention Isomorphism Network by Learning Line Graph Expansion".

crystal_untagged_800K

CrysGNN : Un-tagged Dataset (AAAI-2023)

Community-Detection

This is the repository for E0 259-Data-Analytics Course assignment for Module 3-Community Detection

MEGNet

MEGNet Baseline for crystal project.

Jupyter Notebook

colour_blindness_detection-

Data Analysis Assignment regarding Colour blindness detection

Graph-Convolution-Network

Implement of Graph Convolution Network with Random Data Split.

networkx_master

This repository contains several codes to deal with graphs using Networkx.

The-Duckworth-Lewis-Stern-method

This is the repository for E0 259-Data-Analytics Course assignment for Module 1 -The Duckworth-Lewis-Stern method

CrysXPP

Code for Crysxpp for NPJ Computational Submission

Mars_Orbital_Plane

This is the repository for E0 259-Data-Analytics Course assignment for Module 2-Mars Orbital Plane.