shdchen Goto Github PK

python-small-examples

Python有趣的小例子一网打尽。Python基础、Python坑点、Python字符串和正则、Python绘图、Python日期和文件、Web开发、数据科学、机器学习、深度学习、TensorFlow、Pytorch，一切都是简单易懂的小例子。

python-ternary

:small_red_triangle: Ternary plotting library for python with matplotlib

python_recipes

Stuff learned about/with python

pythonairoad

source code of some articles

pytorch-deep-learning

Deep Learning (with PyTorch)

pyzfs

A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.

qe_unfolding

band unfolding using quantum espresso

quera-education

quip

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

r-novice-inflammation

Programming with R

raspa2

Classical molecular simulation code

reann

reveal.js

The HTML Presentation Framework

ring-polymer-molecular-dynamics-in-python-and-cpp

In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(TCF) of coordinate <q(0)q(t)>. Two kinds of thermostat have been tested.

schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

shc-python-tools

Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations

shell-novice

The Unix Shell

shengbte

shengbte-1

This is a GPU optimized version of ShengBTE.

shengbte-multiplatform

shengbte_data-plotting_code

slideshows

Sildeshows related to Software Carpentry

spark_tutorial

500+ spark short code examples in jupyter notebook!

sqsgenerator

A command line tool written in Python/C++ for finding optimized SQS structures

sumo

Heavyweight plotting tools for ab initio calculations

swcarpentry

A meta-repository to help navigate the many lessons and repos of the Software Carpentry Community

tdep

The Temperature Dependent Effective Potentials (TDEP) code

tdep-tutorials

TDEP Tutorials

tensorpotential

TensorFlow based interface for ML potentials development, fitting and evaluation

tensorrt-llm

TensorRT-LLM provides users with an easy-to-use Python API to define Large Language Models (LLMs) and build TensorRT engines that contain state-of-the-art optimizations to perform inference efficiently on NVIDIA GPUs. TensorRT-LLM also contains components to create Python and C++ runtimes that execute those TensorRT engines.