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pandarallel

A simple and efficient tool to parallelize Pandas operations on all available CPUs

pandas-cookbook

Recipes for using Python's pandas library

pandas-datareader

pandas-ml

pandas, scikit-learn, xgboost and seaborn integration

pandas-profiling

Create HTML profiling reports from pandas DataFrame objects

pandas_basics

basic pandas tutorials

pandasvault

Advanced Pandas Vault — Utilities, Functions and Snippets (by @firmai).

panthera

Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.

paoflow

Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)

paragauss-gpl

ParaGauss GPL, V3.2.1+

parameterimportance

Parameter Analysis Tool

parf

PARF - Parallel Random Algorithm

pawpyseed

Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

pbcdft_pyscf_benchmarks

PBC/DFT benchmark files of various crystals for Pyscf

pbe_xtpl

pcrystal09_bsopt

Basis set optimization script that works with Pcrystal09

pdfo

Powell's Derivative-Free Optimization solvers

pdftabextract

A set of tools for extracting tables from PDF files helping to do data mining on (OCR-processed) scanned documents.

pdir2

Pretty dir() printing with joy:beer:

penny

Inspect your data and find the truth!

pent

pent Extracts Numerical Text -- Mini-language driven parser for structured numerical data

performance

GAMESS Performance Benchmark

periodic

Constants related to atomic elements

periodic-nbo

periodic_nbo

Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry

periodictable

Extensible periodic table for python

personal_scripts

Personal scripts, mostly for computational chemistry analysis.

pescador

Stochastic multi-stream sampling for iterative learning

phd_solid_state_analysis_tools

Handy modules and scripts for analyzing electronic structures of hybrid organic-inorganic systems

phono3py

A simulation package of phonon-phonon interaction related properties