Zilong-Yuan

handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

2019-Fall

https://SUSTech-Application.github.io/2019-Fall

awesome-chatgpt-prompts

This repo includes ChatGPT prompt curation to use ChatGPT better.

cdvae

An SE(3)-invariant autoencoder for generating the periodic structure of materials

charge3net

Higher-order equivariant neural networks for charge density prediction in materials

Composition-Conditioned-Crystal-GAN

Composition-Conditioned Crystal GAN pytorch code

cs-self-learning

计算机自学指南

d4ft

A JAX library for Density Functional Theory.

DiffCSP

dimenet

DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)

dp-cdvae

Diffusion Probabilistic CDVAE

EEGSDE

This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)

egnn

graphite

A repository for implementing graph network models based on atomic structures.

intro_dgm

An Introduction to Deep Generative Modeling: Examples

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

mapidoc

Public repo for Materials API documentation

ponita

Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.

PyTorch-GAN

PyTorch implementations of Generative Adversarial Networks.

pytorch-tutorial

PyTorch Tutorial for Deep Learning Researchers

tuning_playbook

A playbook for systematically maximizing the performance of deep learning models.

zilong.github.io

A beautiful, simple, clean, and responsive Jekyll theme for academics