mdplus

Last released Nov 6, 2024

Tools for molecular dynamics simulation setup and analysis.

extasycoco

Last released Jun 8, 2021

EXTASY Project - CoCo

crossflow

Last released Jun 11, 2024

A Python workflows system

rlcluster

Last released Jul 6, 2022

Implements Rodriguez-Laio clustering.

mdio

Last released Jun 12, 2022

Basic I/O for MD trajectory files

pypcazip

Last released Mar 1, 2021

PCA-based molecular dynamics trajectory file compression and analysis.

crosscore

Last released Aug 26, 2020

A simple cloud-based workflow system

ecpc

Last released Apr 13, 2020

Simple scripts to launch EC2 instances

h5traj

Last released Dec 9, 2019

HDF5-backed MDTraj

pinda

Last released Nov 29, 2019

Pip-INstallable Dockerized Applications

xbowflow

Last released Nov 29, 2019

Longbow in the cloud

tios

Last released Jun 27, 2019

The internet of things, for MD simulations.

extasy.coco

Last released Jun 9, 2018

EXTASY Project - Coco

extasy.wrappers

Last released Jun 7, 2018

EXTASY Project - Wrappers