ymatsunaga

checkensemble

This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.

docker-genesis

docker-jenkins

jenkins docker image for docker-outside-of-docker

docker-octave

Octave+Jupyter docker image ready for use with MDToolbox

docker-opengl

A docker image that supports rendering graphical applications.

docker-stacks

Opinionated stacks of ready-to-run Jupyter applications in Docker.

docker-ubuntu

ubuntu image for GENESIS test

mdtoolbox

MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories

ymatsunaga/mdtoolbox

MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories

ymatsunaga/docker-octave

Octave+Jupyter docker image ready for use with MDToolbox

ymatsunaga/checkensemble

This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.

ymatsunaga/docker-genesis

ymatsunaga/docker-jenkins

jenkins docker image for docker-outside-of-docker

ymatsunaga/docker-opengl

A docker image that supports rendering graphical applications.

ymatsunaga/docker-stacks

Opinionated stacks of ready-to-run Jupyter applications in Docker.

ymatsunaga/docker-ubuntu

ubuntu image for GENESIS test

ymatsunaga/GPflowSampling

Code for efficiently sampling functions from GP(flow) posteriors

ymatsunaga/mdtoolbox_doc

Documentation for MDToolbox

ymatsunaga/NBodySimulator.jl

A differentiable simulator for scientific machine learning (SciML) with N-body problems, including astrophysical and molecular dynamics

ymatsunaga/TimeSeries.jl

Time series toolkit for Julia