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numpy-100

100 numpy exercises (with solutions)

nways_accelerated_programming

openai-cookbook

Examples and guides for using the OpenAI API

openai-translator

基于 ChatGPT API 的划词翻译浏览器插件和跨平台桌面端应用 - Browser extension and cross-platform desktop application for translation based on ChatGPT API.

openkapitza

A python package to compute anharmonic heat transfer across inhomogeneous interfaces.

oxdna-ffs

The oxDNA model augmented with forward flux sampling to compute reaction rates

pair_nequip

philosophy_for_programmer

phoebe

A high-performance framework for solving phonon and electron Boltzmann equations

phono3py

A simulation package of phonon-phonon interaction related properties

phonolammps

LAMMPS interface for phonon calculations using phonopy

phonon-sed

Python codes to calculate phonon spectral energy density from LAMMPS velocity data.

phonon-vibration-viewer

Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)

phonon_unfolding

A Fortran90 program for unfolding phonon dispersions

phononwebsite

Visualise lattice vibrations

phonopy

Phonon code

phy410

Software for UB's PHY410 class

pimd-mooc

Interactive tutorials for the PIMD Massive Open Online Course

ppr-phonon-participation-ratio

Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and delocalization.

pyiron

pyiron - an integrated development environment (IDE) for computational materials science.

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

pynep

A python interface of NEP

pyscal

Python library written in C++ for calculation of local atomic structural environment

pysed

To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.

python-ace

python-novice-inflammation

Programming with Python

python-programming-exercises

100+ Python challenging programming exercises

python-projects-for-beginners

Source Code for 'Python Projects for Beginners' by Connor Milliken

python-projects-for-beginners-chinese-version

《Python Projects for Beginners》中文版本

python-second-language

Full-day lesson on Python as a second language.