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gpflow

Gaussian processes in TensorFlow

gpy

Gaussian processes framework in python

heatcanvas

Pixel based heatmap with html5 canvas.

hmmlearn

Hidden Markov Models in Python, with scikit-learn like API

icml18-jtnn

ino

Command line toolkit for working with Arduino hardware

ipymol

Control PyMOL sessions via IPython

istar

istar is a software-as-a-service platform for bioinformatics and chemoinformatics.

jointplot-d3

Generate stylized 2D density plots with marginals in d3

jsnetworkx

A port of the graph library NetworkX to JavaScript

jvhw_entropy_estimators

MATLAB and Python 2.7/3 Implementations of the JVHW entropy and mutual information estimators in Jiao, Jiantao, Kartik Venkat, Yanjun Han, and Tsachy Weissman. "Minimax estimation of functionals of discrete distributions." IEEE Transactions on Information Theory 61, no. 5 (2015): 2835-2885.

mapper

Implementation of Mapper Algorithm

md-cookbook

Get cookin' with molecular dynamics made from scratch

mdentropy

Entropy calculations for MD data

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

molencoder

Molecular AutoEncoder in PyTorch

mpld3

D3 Renderings of Matplotlib Graphics

msmb_data

Testing data for MSMBuilder

msmbuilder

Statistical models for biomolecular dynamics

msmbuildermpitools

Make MSMs for protein-ligand system with parallelized RMSD clustering, featurization, and state assignment.

msmexplorer

Visualizations for statistical models of biomolecular dynamics

msmreport

Create reports for MSMs generated using Osprey

mtx2json

Convert a sparse MSM adjacency matrix into a JSON-formatted graph

mutinf-view

Pretty Chord Diagrams for Mutual Information –

nglview

IPython widget to interactively view molecular structures and trajectories

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

opentda

Open source Python library for topological data analysis (TDA)

osprey

osprey is the plumbing for machine learning hyperparameter optimization.

parmed

Parameter/topology editor and molecular simulator

pcled

Control your Arduino's LED strip through your PC