Pinned Repositories
GDPy
Generating Deep Potential with Python
abacus-user-guide
ABACUS开源软件的中文用户文档
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
abacus-user-guide
ABACUS开源软件的中文用户文档
ATST-Tools
Advanced ASE Transition State Tools for ABACUS and Deep-Potential
ecust-CourseShare
致力于构建共建共治共享的ecust课程攻略共享库
experiment_kit
a python package to deal with science and engineering experiment in ECUST and other Univs.
LASP_autotrain_lib
LASP python library including scripts and auto-NNtrain workflow
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
pyQC-HF
little python project for quantum chemistry calculation (method: Hartree-Fock)
QuantumMisaka's Repositories
QuantumMisaka/ATST-Tools
Advanced ASE Transition State Tools for ABACUS and Deep-Potential
QuantumMisaka/LASP_autotrain_lib
LASP python library including scripts and auto-NNtrain workflow
QuantumMisaka/experiment_kit
a python package to deal with science and engineering experiment in ECUST and other Univs.
QuantumMisaka/pyQC-HF
little python project for quantum chemistry calculation (method: Hartree-Fock)
QuantumMisaka/ecust-CourseShare
致力于构建共建共治共享的ecust课程攻略共享库
QuantumMisaka/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
QuantumMisaka/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
QuantumMisaka/abacus-user-guide
ABACUS开源软件的中文用户文档
QuantumMisaka/calculator
QuantumMisaka/catalyticLAM
Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
QuantumMisaka/cp2k
Quantum chemistry and solid state physics software package
QuantumMisaka/dotfiles
QuantumMisaka/ElegantNote
Elegant LaTeX Template for Notes
QuantumMisaka/ElegantPaper
Elegant LaTeX Template for Working Papers
QuantumMisaka/fonts
Patched fonts for Powerline users.
QuantumMisaka/GDPy
Generating Deep Potential with Python
QuantumMisaka/GLUE
Graph-linked unified embedding for single-cell multi-omics data integration
QuantumMisaka/HAT-ReactivityPredictor
Demo of reactivity prediction of hydrogen atom transfer (HAT) reaction via machine learning
QuantumMisaka/Horse_Bidding_Game
赌马小游戏v1.0测试版源代码
QuantumMisaka/ideamaker
QuantumMisaka/manim
Animation engine for explanatory math videos
QuantumMisaka/neo4j-web
Python语言实现Neo4j数据库Web可视化（cytoscape）开发
QuantumMisaka/oh-my-zsh
🙃 A delightful community-driven (with 1,300+ contributors) framework for managing your zsh configuration. Includes 200+ optional plugins (rails, git, OSX, hub, capistrano, brew, ant, php, python, etc), over 140 themes to spice up your morning, and an auto-update tool so that makes it easy to keep up with the latest updates from the community.
QuantumMisaka/pylearn
Python学习小知识
QuantumMisaka/Python
All Algorithms implemented in Python
QuantumMisaka/python-template
QuantumMisaka/pytorch-handbook
pytorch handbook是一本开源的书籍，目标是帮助那些希望和使用PyTorch进行深度学习开发和研究的朋友快速入门，其中包含的Pytorch教程全部通过测试保证可以成功运行
QuantumMisaka/Uni-Mol
A Universal 3D Molecular Representation Learning Framework
QuantumMisaka/VASPsol
Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/
QuantumMisaka/VASPy
Manipulating VASP files with Python.