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advanced-python-techniques icon advanced-python-techniques

Python 进阶知识的文档网站,主要包括 Python 在主流应用领域的方向路线、日常的开发工具及规范设计、Python 常用包与模块、高级核心专题、进阶书籍的阅读笔记总结、常用 web 开发框架、工程实践及部分源码剖析的经验总结等。(长期持续更新中...)

cgcnn icon cgcnn

Crystal graph convolutional neural networks for predicting material properties.

cgnn icon cgnn

Crystal Graph Neural Networks

d2l-zh icon d2l-zh

《动手学深度学习》:面向中文读者、能运行、可讨论。中英文版被60个国家的400所大学用于教学。

espresso icon espresso

Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

fermi-surface icon fermi-surface

VASP subtool to draw Fermi-Surface; creates input file for Xcrysden

interpy-zh icon interpy-zh

📘《Python进阶》(Intermediate Python - Chinese Version)

isnack icon isnack

闲得无事,用C语言写的贪吃蛇游戏

lmfit-py icon lmfit-py

Non-Linear Least Squares Minimization, with flexible Parameter settings, based on scipy.optimize, and with many additional classes and methods for curve fitting.

moocpythonml icon moocpythonml

A jupyter notebook based on mooc python machine learning course.

nano106 icon nano106

Course materials for NANO 106 - Crystallography of Materials

neb-python icon neb-python

A NEB code Based on Python, Numpy and Matplotlib.

oncvpsp icon oncvpsp

Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

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