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awesome-crystal-gnns

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

awesome-deep-learning

A curated list of awesome Deep Learning tutorials, projects and communities.

cdvae_kd

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

cgcnn-1

Crystal graph convolutional neural networks for predicting material properties.

colour_blindness_detection-

Data Analysis Assignment regarding Colour blindness detection

community-detection

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

crysgnn

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

crysmmnet

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

crystal_untagged_800k

CrysGNN : Un-tagged Dataset (AAAI-2023)

crysxpp

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

effects-of-smoking

This is the repository for E0 259-Data-Analytics Course assignment for Module 4-Effect of Smoking

elemnet_baseline

Baselines of Elemnet Model

fashion-mnist-classification

This project is to implement neural network and convolutional neural network for the task of classifi- cation. The classification task will be that of recognizing an image and identify it as one of ten classes. You are required to train the classifiers using Fashion-MNIST clothing images.

gatgnn

Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction

gcn

Implementation of Graph Convolutional Networks in TensorFlow

graph-convolution-network

Implement of Graph Convolution Network with Random Data Split.

hain

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

kdmsit.github.io

lhcn

Code for paper LHCN submitted into PAKDD2020.

mars_orbital_plane

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

matformer

Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)

megnet

MEGNet Baseline for crystal project.

megnet-1

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

mpandroidchart

A powerful Android chart view / graph view library, supporting line- bar- pie- radar- bubble- and candlestick charts as well as scaling, dragging and animations.

mt-cgcnn

NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction

myutil

This repo contains some small snippet of codes of random stuffs

networkx_master

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

pretrain-gnns

Strategies for Pre-training Graph Neural Networks

pygcn

Graph Convolutional Networks in PyTorch

qmpy

Modified qmpy package to read experimental datas