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/interview_python
关于Python的面试题
hitergelei/ALF
A framework for performing active learning for training machine-learned interatomic potentials.
hitergelei/botorch
Bayesian optimization in PyTorch
hitergelei/cace
hitergelei/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling
hitergelei/cphy
Class materials for computational physics course
hitergelei/CUDA-Programming
Sample codes for my CUDA programming book
hitergelei/DIST-Toolkit
Generate atomic structures for common defects in materials
hitergelei/GPUMD
Graphics Processing Units Molecular Dynamics
hitergelei/High-Entropy-Alloys
Generate random alloys and compute various properties.
hitergelei/LAMMPS_wrapper
hitergelei/lammpstutorials.github.io
LAMMPS tutorials for both beginners and advanced users
hitergelei/MaterialsInformatics
MSE5050/7050 Materials Informatics course at the University of Utah
hitergelei/mbGDML
Create, use, and analyze machine learning potentials within the many-body expansion framework.
hitergelei/MDBrushAnalysis
Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of polymer brushes in equilibrium with solvent vapours.
hitergelei/ML-ElectronMicroscopy-2023
hitergelei/mlmod
Machine learning package for data-driven modeling and simulation of particle systems, materials, and complex fluids (interfaces with LAMMPS MD package)
hitergelei/NEP_CPU
CPU version of NEP
hitergelei/nfflr
Neural force field learning toolkit（forward for EAM，tersoff, LJ et al）
hitergelei/numpyro
Probabilistic programming with NumPy powered by JAX for autograd and JIT compilation to GPU/TPU/CPU.
hitergelei/Parallel-Computing-Cuda-C
hitergelei/parmoo
Python library for parallel multiobjective simulation optimization
hitergelei/PHYS6350-ComputationalPhysics
Lecture notes and code for the course PHYS6350 Computational Physics at the University of Houston
hitergelei/PySR
High-Performance Symbolic Regression in Python and Julia
hitergelei/python-ace
hitergelei/rdfpy
A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
hitergelei/tdep-tutorials
TDEP Tutorials
hitergelei/tools
ssrokyz's tools
hitergelei/udlbook
Understanding Deep Learning - Simon J.D. Prince
hitergelei/wigner-kernels-jax