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ecce icon ecce

The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL

gomc icon gomc

GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems

hoomd-blue icon hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

jmmonedmc icon jmmonedmc

A Monte Carlo simulation package aimed at systems of classical particles in which the potential depends only on a single coordinate associated with each particle.

lammps icon lammps

Public development project of the LAMMPS MD software package

molssidevops icon molssidevops

This is an example repo for the MolSSI Bootcamp, July 9-10, 2018

paraview icon paraview

VTK-based Data Analysis and Visualization Application

pymc icon pymc

A python-based application for Monte Carlo simulation of molecular systems.

statistical_inference icon statistical_inference

Course materials for the Data Science Specialization: https://www.coursera.org/specialization/jhudatascience/1

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