Pinned Repositories
30dayMakeCppServer
30天自制C++服务器,包含教程和源代码
ActiveLearningFramework
Bachelor Thesis of Meret Unbehaun, Topic: Active Learning strategies for Machine Learned potentials
ai-for-nlp-course
ai-science-training-series
Algorithms
面试刷题:LeetCode, 剑指offer等-用Python语言实现
competition_baselines
开源的各大比赛baseline
hitergelei.github.io
这是我的个人博客
interview_python
关于Python的面试题
Kaggle
参加的数据挖掘竞赛代码
Self-Learning
小白的数据结构,机器学习笔记,相关书籍知识点
hitergelei's Repositories
hitergelei/data_analytics_ChE
Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.
hitergelei/pair_allegro
LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
hitergelei/modnet
MODNet: a framework for machine learning materials properties
hitergelei/OVITO_python_modifier_db
Collection of python script modifiers for OVITO Pro (https://www.ovito.org)
hitergelei/PyXtal_FF
Machine Learning Interatomic Potential Predictions
hitergelei/SpookyNet
Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
hitergelei/ActiveLearningFramework
Bachelor Thesis of Meret Unbehaun, Topic: Active Learning strategies for Machine Learned potentials
hitergelei/gnnff
Atomistic Force Fields based on GNNFF (Accurate and scalable graph neural network force field)
hitergelei/cmlkit
tools for machine learning in condensed matter physics and quantum chemistry
hitergelei/graph_nets
PyTorch Implementation and Explanation of Graph Representation Learning papers: DeepWalk, GCN, GraphSAGE, ChebNet & GAT.
hitergelei/ML-CV
机器学习实战
hitergelei/mlearn
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
hitergelei/aml
Active learning; Query by committee; Ensemble averaging; Committee machines; Neural Network Potentials
hitergelei/deepKNet
PointNet-based 3D deep learning model designed for decoding the structure-property relationship for generic crystalline materials.
hitergelei/Phonon-Vibration-Viewer
Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
hitergelei/pops
Interatomic potential optimization package.
hitergelei/em3
Easy Modular Molecular Mechanics (EM3) program.
hitergelei/VASP_script
Useful scripts for VASP
hitergelei/shc-python-tools
Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
hitergelei/Tutorials_CP2K
Tutorials on CP2K calculations
hitergelei/ASAP
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
hitergelei/AtomNN
hitergelei/EANN
Embedded Atom Neural Network Potentials
hitergelei/PyTorchRL
《PyTorch深度强化学习实践》源代码和勘误
hitergelei/HDNNP
high dimensional neural network potential
hitergelei/solid_liquid_interface
hitergelei/Detection-PyTorch-Notebook
代码 -《深度学习之PyTorch物体检测实战》
hitergelei/DFT-EXERCISES
DENSITY FUNCTIONAL THEORY EXERCISES
hitergelei/PyTorchIntroduction
《深入浅出 PyTorch——从模型到源码》源代码和勘误(见Issues)
hitergelei/ann
neural network potentials for atomistic simulations