kdmsit

Awesome-Crystal-GNNs

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

colour_blindness_detection-

Data Analysis Assignment regarding Colour blindness 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)

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".

Mars_Orbital_Plane

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

MEGNet

MEGNet Baseline for crystal project.

kdmsit/Awesome-Crystal-GNNs

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

kdmsit/crysgnn

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

kdmsit/crysxpp

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

kdmsit/crysmmnet

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

kdmsit/HAIN

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

kdmsit/crystal_untagged_800K

CrysGNN : Un-tagged Dataset (AAAI-2023)

kdmsit/colour_blindness_detection-

Data Analysis Assignment regarding Colour blindness detection

kdmsit/Graph-Convolution-Network

Implement of Graph Convolution Network with Random Data Split.

kdmsit/MEGNet

MEGNet Baseline for crystal project.

kdmsit/mt-cgcnn

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

kdmsit/networkx_master

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

kdmsit/awesome-deep-learning

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

kdmsit/cdvae_forked

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

kdmsit/cgcnn-1

Crystal graph convolutional neural networks for predicting material properties.

kdmsit/DiffCSP-PP_forked

Repo about DiffCSP++

kdmsit/DiffCSP_forked

Forked Version of DiffCSP

kdmsit/Elemnet_baseline

Baselines of Elemnet Model

kdmsit/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.

kdmsit/GATGNN

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

kdmsit/kdmsit.github.io

kdmsit/Matformer

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

kdmsit/megnet-1

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

kdmsit/myutil

This repo contains some small snippet of codes of random stuffs

kdmsit/pretrain-gnns

Strategies for Pre-training Graph Neural Networks

kdmsit/Prot2Text

Logml Project

kdmsit/Protein_Pretrain

Multimodal Pretraining for Unsupervised Protein Representation Learning

kdmsit/pygcn

Graph Convolutional Networks in PyTorch

kdmsit/qmpy

Modified qmpy package to read experimental datas

kdmsit/qmpy_rester

qmpy rester modified version

kdmsit/semeval22_structured_sentiment

SemEval-2022 Shared Task 10: Structured Sentiment Analysis