Zilong.yuan's repositories
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ĺ¦ćŚ‡ĺŤ—
d4ft
A JAX library for Density Functional Theory.
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)
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