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parlpublic

Jupyter notebooks about Parliamentary data, graphs, and machine learning

partycls

Unsupervised learning of structure in systems of interacting particles.

pensa

PENSA (Protein Ensemble Analysis) - a collection of python methods for exploratory analysis and comparison of protein structural ensembles.

persistent_homology_image_analysis

polylidar

Polylidar3D - Fast polygon extraction from 3D Data

pot

POT : Python Optimal Transport

prince

:crown: Python factor analysis library (PCA, CA, MCA, MFA, FAMD)

protein-interaction-network

Computes a molecular graph for protein structures.

psanalysistutorial

Examples and data for performing path similarity analysis (PSA).

pybilt

Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.

pydata-networkx

[Archived! Check out http://ericmjl.github.io/Network-Analysis-Made-Simple/] A short tutorial on network analysis using Game of Thrones, US Airports and Python!

pydiffusion

Analyse Rotational Diffusion Tensor from MD Simulations

pygsp

Graph Signal Processing in Python

pyhull

Pyhull is a Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram.

pykbi

Python module to work on radial distribution functions and Kirkwood-Buff integrals

pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

pyprism

A framework for conducting polymer reference interaction site model (PRISM) calculations

pyscal-webpage

Examples for pyscal local atomic environment calculator

pyscf_tutorial

python-for-lammps

Python scripts for dealing with molecular dynamics script for LAMMPS

python-louvain

Louvain Community Detection

python-modularity-maximization

Python implementation of Newman's spectral methods to maximize modularity.

qutip-notebooks

A collection of IPython notebooks using QuTiP: examples, tutorials, development test, etc.

rank-one-betti-curves

raspa2

Classical molecular simulation code

ribbon

Ribbon diagrams of proteins in #golang.

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

rtg-networks

scikit-lego

Extra blocks for scikit-learn pipelines.

scikit-network

Graph Algorithms