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Stage-based scientific workflows for system analysis

Project description

ReadTheDocs

Introduction

flowws-analysis is an in-development set of flowws modules to create reusable analysis pipelines for scientific simulations. Although it is currently mostly useful for analyzing structures found in molecular simulation (together with flowws-freud), the framework can be used as a base for analysis and visualization in jupyter notebooks or a standalone GUI for other application domains.

Installation

Install flowws-analysis from PyPI (note that most modules require dependencies; use the second pip install command below to install those) :

# this installs flowws-analysis without any prerequisites
pip install flowws-analysis

# optional prerequisites can be installed via extras, for example:
pip install flowws-analysis[garnett,gtar,notebook,plato,pyriodic,qt]

Alternatively, install from source:

pip install git+https://github.com/klarh/flowws-analysis.git#egg=flowws-analysis

Examples

Consult the flowws-examples project for examples using flowws-analysis modules.

API Documentation

Browse more detailed documentation online or build the sphinx documentation from source:

git clone https://github.com/klarh/flowws-analysis
cd flowws-analysis/doc
pip install -r requirements.txt
make html

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