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pyqint

Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations

pyresponse

Molecular frequency-dependent response properties for arbitrary operators

pyrsistence

A Python extension for managing External Memory Data Structures (EMDs)

pyscf

Python module for quantum chemistry

pyscf-scripts

A set of scripts and tools based on pyscf

pyscf_tutorial

pyseries

pyseries - Time series and prediction in Python

pysisyphus

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

pysmac

simple python interface to SMAC.

pysoc

PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+

pystan

PyStan, a Python interface to Stan, a platform for statistical modeling. Documentation: https://pystan.readthedocs.io

python-algorithms

Algorithm and Data Structure in Python

python-data-analysis-workshop

Workshop: Intro to Python for Data Analysis

python-data-intro

Workshop material for "Introduction to Data Processing with Python"

python-data-science-workshop

Workshop: Python for Data Science

python-dftd3

Python wrapper around fortran dftd3 library

python-elm

Extreme Learning Machine implementation in Python

python-feature-engineering-cookbook

Python Feature Engineering Cookbook, published by Packt

python-for-signal-processing

Notebooks for "Python for Signal Processing" book

python-igraph

Python interface for igraph

python-machine-learning-book

The "Python Machine Learning (1st edition)" book code repository and info resource

python-patterns

A collection of design patterns/idioms in Python

python-small-examples

告别枯燥，致力于打造 Python 实用小例子，更多Python良心教程见 Python中文网 http://www.zglg.work

python-smote

SMOTE: Synthetic Minority Over-sampling Technique

python-twitter-examples

Examples of using Python for Twitter social data mining, using the python-twitter-tools framework.

python-weka-wrapper3

Python 3 wrapper for Weka using python-javabridge.

python_course_material

Material for a course to teach Python programming and associated data analysis tools.

python_geospatial

Geospatial Data in Python Tutorial Materials

pythonfordatascience

PythonForDataScience

pythonic_ocr

A convolutional neural network implemented in pure numpy.