flblanc

PyConSolv

asyncmd

asyncmd is a library to write concurrent code for setup, run and analysis of molecular dynamics simulations using pythons async/await synthax.

gpubootcamp

This repository consists for gpu bootcamp material for HPC and AI

elevate

A sport app to "Elevate" your training experience and goals! Track your fitness and progressions over time. Analyse deeper your activities. And more...

pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

DiffusionFusion

Calculate position-dependent diffusivity functions from trajectory data (usually from molecular dynamics). The approach is described in http://doi.org/10.1021/ct300867e . The fractional Smoluchowski model is described in http://doi.org/10.1038/srep35913 .

polar

A set of command line tools written in Ruby to interact with Polar watches and decode raw data files

colvars

Collective variables library for molecular simulation and analysis programs