Xinjian OUYANG's repositories
Python-Parallel-Programming-Cookbook-Second-Edition
Python Parallel Programming Cookbook – Second Edition, published by Packt
aenet-lammps
This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural network (ANN) potential parameter file of BCC iron.
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
graph-neural-pde
Graph Neural PDEs
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
e3nn
A modular framework for neural networks with Euclidean symmetry
escnn
Equivariant Steerable CNNs Library for Pytorch
LaTexTemplate_ActaPhysicaSinica
物理学报（Acta Physica Sinica）的LaTex模板
python3-cookbook
《Python Cookbook》 3rd Edition Translation
DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
mdgrad
Pytorch differentiable molecular dynamics
SISSO
A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
NeuralForceField
Neural Network Force Field based on PyTorch
MasterThesis
Original codes of my master thesis
Forman-Persistent-Ricci-Curvature
Applications of Forman Ricci Curvature for Biomolecular Data Analysis
torch_base
Quickly bring up your PyTorch project(a skeleton)
gemnet_pytorch
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
egnn-pytorch
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
python-parallel-programming-cookbook-cn
📖《Python Parallel Programming Cookbook》中文版
FLAME
FLAME: a library for atomistic modeling environments
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)
lammps-input-files
LAMMPS inputs and data files
mlearn
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
Mathematics
数学入门教材，适用于工科生
PaddleSpeech
An Easy-to-use Speech Toolkit including SOTA ASR pipeline, influential TTS with text frontend and End-to-End Speech Simultaneous Translation.
easy-neural-ode
Code for the paper "Learning Differential Equations that are Easy to Solve"