Crystal Structure Prediction using Graph Neural Network

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  1. Karthik Upadhyayula
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Crystal Structure Prediction 0:11:00

Crystal Structure Prediction using Graph Neural Network

CrysGNN : Distilling 0:14:57

CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials.

11. Crystal Structure 0:18:35

11. Crystal Structure Graphs

Constructing Accurate Quantitative 0:48:33

Constructing Accurate Quantitative Structure-Property Relationships via Materials Graph Networks

Crystal Structure Prediction 0:03:49

Crystal Structure Prediction software preview. CSD-Theory: view and analyse CSP landscapes

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Examining GNNs for Crystal Structures: Limitations and Opportunities for Capturing Periodicity

Introduction to Crystal 0:12:11

Introduction to Crystal Structure Prediction (CSP)

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AIChem21posters1

Constructing Accurate Quantitative 0:56:48

Constructing Accurate Quantitative Structure-Property Relationships via Materials Graph Networks

Final Presentation Crystal 0:08:50

Final Presentation Crystal Structure Prediction

Crystal structure prediction 0:04:02

Crystal structure prediction for molecular crystals

Crystal Structure Predictions 1:09:02

Crystal Structure Predictions From First Principles -- K. SZALEWICZ

ML: Li-ion 🔋 0:25:23

ML: Li-ion 🔋 Crystal Structure

Structure Predictor Part 0:04:04

Structure Predictor Part 1: General Overview

Lecture about Crystal 1:06:50

Lecture about Crystal Structure Prediction

Predicting Stability of 0:00:09

Predicting Stability of Towers with Graph Neural Networks - 2D - Construction - Stability Prediction

Graph Convolutional Networks 0:09:25

Graph Convolutional Networks (GCNs) made simple

AI Cracks Crystal 0:18:03

AI Cracks Crystal Structure Prediction with Siamese Models

Material Science Meeting: 0:35:23

Material Science Meeting: Cocrystal Formation(cocrystal VS Tools and CSP Calculation) – Marta Dudek...

How to use 0:16:48

How to use edge features in Graph Neural Networks (and PyTorch Geometric)

Improving Graph Neural 0:12:37

Improving Graph Neural Networks with Structural Adaptive Receptive Fields

Train and Predict 0:12:27

Train and Predict Materials Properties using Crystal Graph Convolutional Neural Networks (cgcnn)

Graph Neural Networks 0:18:53

Graph Neural Networks for Binding Affinity Prediction

What are you 0:00:27

What are you working on, Michael Bronstein?

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