James Misaka (QuantumMisaka)

QuantumMisaka

Geek Repo

Company:PKU(CCME)

Location:China

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James Misaka's repositories

LASP_autotrain_lib

LASP python library including scripts and auto-NNtrain workflow

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ATST-Tools

Advanced ASE Transition State Tools for ABACUS

experiment_kit

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

pyQC-HF

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

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ecust-CourseShare

致力于构建共建共治共享的ecust课程攻略共享库

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openbabel

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

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abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

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abacus-user-guide

ABACUS开源软件的中文用户文档

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cp2k

Quantum chemistry and solid state physics software package

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ElegantNote

Elegant LaTeX Template for Notes

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ElegantPaper

Elegant LaTeX Template for Working Papers

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fonts

Patched fonts for Powerline users.

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GDPy

Generating Deep Potential with Python

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GLUE

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

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HAT-ReactivityPredictor

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

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Horse_Bidding_Game

赌马小游戏v1.0测试版源代码

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manim

Animation engine for explanatory math videos

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neo4j-web

Python语言实现Neo4j数据库Web可视化(cytoscape)开发

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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.

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pylearn

Python学习小知识

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Python

All Algorithms implemented in Python

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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

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Uni-Mol

A Universal 3D Molecular Representation Learning Framework

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VASPsol

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

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vasptest

A test suite for the VASP electronic structure code

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VASPy

Manipulating VASP files with Python.

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