chouyoudou's Stars
floodsung/Deep-Learning-Papers-Reading-Roadmap
Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!
datawhalechina/pumpkin-book
《机器学习》(西瓜书)公式详解
pyg-team/pytorch_geometric
Graph Neural Network Library for PyTorch
microsoft/ai-edu
AI education materials for Chinese students, teachers and IT professionals.
jaywalnut310/vits
VITS: Conditional Variational Autoencoder with Adversarial Learning for End-to-End Text-to-Speech
guofei9987/scikit-opt
Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)
benedekrozemberczki/awesome-graph-classification
A collection of important graph embedding, classification and representation learning papers with implementations.
BedirT/ACM-ICPC-Preparation
ACM-ICPC Preparation Guide
tangtangcoding/C-CppLearning
C语言与C++学习
deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
pyscf/pyscf
Python module for quantum chemistry
txie-93/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
wuwenjie1992/StarrySky
精选了5K+项目,包括机器学习、深度学习、NLP、GNN、推荐系统、生物医药、机器视觉、前后端开发等内容。Selected more than 5000 projects, including machine learning, deep learning, NLP, GNN, recommendation system, biomedicine, machine vision, etc. Let more excellent projects be discovered by people. Continue to update! Welcome to star!
eyounx/ZOOpt
A python package of Zeroth-Order Optimization (ZOOpt)
sha256feng/mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
mir-group/flare
An open-source Python package for creating fast and accurate interatomic potentials.
tqchen/ffi-navigator
HuntFeng/quantum-computing
CMPT409 of Simon Fraser University
bnusss/GGN
Gumbel Graph Network (GGN) : A General Deep Learning Framework for Network Reconstruction
ResearchCodesHub/QuantumGeneticAlgorithms
ftherrien/p2ptrans
An algorithm to match crystal structures atom-to-atom
angeloziletti/ai4materials
Deep learning for crystal-structure recognition and analysis of atomic structures
by256/icsg3d
3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
tsudalab/combo3
COMBO for Python 3
maise-guide/maise
MAISE Module for Ab Initio Structure Evolution (MAISE)
lanl-ansi/QuantumAnnealing.jl
Tools for the Simulation and Execution of Quantum Annealing Algorithms
lrcfmd/ChemDASH
Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
OkanKoeksal/Spin-Texture-VASP
Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures
yezhengkai/DWave-Quantum-Annealing
Examples of using DWave quantum annealing system
yilinyang1/NN-ensemble-relaxer
Local geometry optimizer for molecules and crystals based on active learning with neural network ensemble