mispr contains FireWorks workflows for Materials Science
Project description
# <img alt=”mispr” src=”docs/logo.png” width=”500”>
# MISPR: Materials Informatics for Structure-Property Relationships
Rasha Atwi, Matthew Bliss, Maxim Makeev, and Nav Nidhi Rajput
Stony Brook University
# Table of Contents
# Introduction MISPR is a software that executes, manages, and stores computational materials science simulations. It contains pre-defined DFT and MD workflows to calculate and analyze different properties of materials.
Source: https://github.com/molmd/mispr
# Installation
# Requirements
# Usage
# Citation If you find MISPR useful in your research, please consider citing the following paper.
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