quantummisaka Goto Github PK

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

calculator

cp2k

Quantum chemistry and solid state physics software package

dotfiles

ecust-courseshare

致力于构建共建共治共享的ecust课程攻略共享库

elegantnote

Elegant LaTeX Template for Notes

elegantpaper

Elegant LaTeX Template for Working Papers

experiment_kit

a python package to deal with science and engineering experiment in ECUST and other Univs.

fonts

Patched fonts for Powerline users.

gdpy

Generating Deep Potential with Python

glue

Graph-linked unified embedding for single-cell multi-omics data integration

hat-reactivitypredictor

Demo of reactivity prediction of hydrogen atom transfer (HAT) reaction via machine learning

horse_bidding_game

赌马小游戏v1.0测试版源代码

ideamaker

lasp_autotrain_lib

LASP python library including scripts and auto-NNtrain workflow

manim

Animation engine for explanatory math videos

neo4j-web

Python语言实现Neo4j数据库Web可视化（cytoscape）开发

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.

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

pylearn

Python学习小知识

pyqc-hf

little python project for quantum chemistry calculation (method: Hartree-Fock)

python

All Algorithms implemented in Python

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

uni-mol

A Universal 3D Molecular Representation Learning Framework

vaspsol

Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/

vasptest

A test suite for the VASP electronic structure code

vaspy

Manipulating VASP files with Python.