oceanusity / ai4dft

This repository is built to collect the background of the machine learning and AI techniques for density functional theory (DFT).

AI4DFT (AI for DFT)

This repository is built to collect the background of the machine learning and AI techniques for density functional theory (DFT).

Welcome to add pull request and open issues.

Paper collections

• Survey
• Quantum Tensor Learning
• ML Density Functional
• DFT Optimization
• Electronic/Charge Density Prediction

Backgrounds

• Guideline

ai4dft's Issues

GraphFM-IB发布时间

请问GraphFM-IB预计什么时间能够发布？文章中说的DIG项目中暂时还未更新。麻烦您是够方便给的大概时间？因为我已经开题答辩写了这个算法并且通过了，但是刚发现还未发布，希望您能提供一个时间范围，以便我做后续计划。非常感谢您！