{ "cells": [ { "cell_type": "markdown", "id": "0", "metadata": {}, "source": [ "# Introducting dupin\n", "\n", "__dupin__ is an event detection package for molecular simulations.\n", "This tutorial serves to provide the information necessary to go from a temporal point cloud of data (e.g. simulation positions across a trajectory) to a set of change points (events) in the data.\n", "\n", "**Prerequisites:**\n", "\n", "Basic Python programming skills are assumed.\n" ] }, { "cell_type": "markdown", "id": "1", "metadata": { "nbsphinx-toctree": { "maxdepth": 1 }, "tags": [] }, "source": [ "## Sections:\n", "\n", "1. [Basic Approach](01-basic-approach.ipynb)\n", "2. [Setting up a Data Pipeline](02-data-pipeline.ipynb)\n", "3. [Collecting Data](03-collecting-data.ipynb)\n", "4. [Feature Selection](04-feature-selection.ipynb)\n", "5. [Detect Events](05-detect-events.ipynb)" ] }, { "cell_type": "markdown", "id": "2", "metadata": { "tags": [] }, "source": [ "This tutorial is written using [jupyter](https://jupyter.org/) and the source files can be found in the [dupin repository](https://github.com/glotzerlab/dupin/notebooks)." ] }, { "cell_type": "markdown", "id": "3", "metadata": { "nbsphinx": "hidden", "tags": [] }, "source": [ "[Next section](01-basic-approach.ipynb)" ] } ], "metadata": { "kernelspec": { "display_name": "Python (dupin)", "language": "python", "name": "dupin" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.10.6" }, "toc-autonumbering": false, "toc-showcode": false, "toc-showmarkdowntxt": false, "toc-showtags": true }, "nbformat": 4, "nbformat_minor": 5 }