Pinned Repositories
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)
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.
Zilong-Yuan's Repositories
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.
Zilong-Yuan/2019-Fall
https://SUSTech-Application.github.io/2019-Fall
Zilong-Yuan/awesome-chatgpt-prompts
This repo includes ChatGPT prompt curation to use ChatGPT better.
Zilong-Yuan/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials
Zilong-Yuan/charge3net
Higher-order equivariant neural networks for charge density prediction in materials
Zilong-Yuan/Composition-Conditioned-Crystal-GAN
Composition-Conditioned Crystal GAN pytorch code
Zilong-Yuan/cs-self-learning
计算机自学指南
Zilong-Yuan/d4ft
A JAX library for Density Functional Theory.
Zilong-Yuan/DiffCSP
Zilong-Yuan/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)
Zilong-Yuan/dp-cdvae
Diffusion Probabilistic CDVAE
Zilong-Yuan/EEGSDE
This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)
Zilong-Yuan/egnn
Zilong-Yuan/EGNO
Zilong-Yuan/GeoLDM
Geometric Latent Diffusion Models for 3D Molecule Generation
Zilong-Yuan/graphite
A repository for implementing graph network models based on atomic structures.
Zilong-Yuan/HEGNN
Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?'
Zilong-Yuan/intro_dgm
An Introduction to Deep Generative Modeling: Examples
Zilong-Yuan/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Zilong-Yuan/mapidoc
Public repo for Materials API documentation
Zilong-Yuan/MoreRed
Molecular Relaxation with Reverse Diffusion
Zilong-Yuan/ponita
Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.
Zilong-Yuan/PyTorch-GAN
PyTorch implementations of Generative Adversarial Networks.
Zilong-Yuan/pytorch-tutorial
PyTorch Tutorial for Deep Learning Researchers
Zilong-Yuan/transfusion-pytorch
Pytorch implementation of Transfusion, "Predict the Next Token and Diffuse Images with One Multi-Modal Model", from MetaAI
Zilong-Yuan/tuning_playbook
A playbook for systematically maximizing the performance of deep learning models.
Zilong-Yuan/UPT
Code for the paper Universal Physics Transformers
Zilong-Yuan/zilong.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics