Tags: Jupyter notebooks

All Categories (1-20 of 172)

  1. A Guided Tour of Interactive Jupyter Notebooks Powered by nanoHUB

    20 Feb 2023 | | Contributor(s):: Daniel Mejia

    In this presentation, we will take you on a guided tour of interactive Jupyter Notebooks powered by nanoHUB. Jupyter is a powerful tool for data science and scientific computing that provides an intuitive interface for a variety of programming languages; Jupyter in nanoHUB provides even more...

  2. Jupyter Lab (201904)

    09 Feb 2023 | | Contributor(s):: Steven Clark

    An extensible environment for interactive and reproducible computing, based on the Jupyter Notebook architecture.

  3. Jupyter Lab (202105)

    09 Feb 2023 | | Contributor(s):: Steven Clark

    An extensible environment for interactive and reproducible computing, based on the Jupyter Notebook architecture.

  4. Jupyter Examples - Jupyter Notebook (202105)

    27 Jan 2023 | | Contributor(s):: Daniel Mejia

    Users Manual and Examples for Jupyter

  5. Solving the 2D Ising Model

    01 Nov 2022 | | Contributor(s):: Ava Hallberg, George Maxwell Nishibuchi, Kat Nykiel, Alejandro Strachan

    Using Markov Chain Monte Carlo Method to visualize magnetism via Ising Model

  6. The Materials Simulation Toolkit for Machine Learning (MAST-ML): Automating Development and Evaluation of Machine Learning Models for Materials Property Prediction

    06 Oct 2022 | | Contributor(s):: Ryan Jacobs

    Hands-on activities, we will use MAST-ML to (1) import materials datasets from online databases and clean and examine our input data, (2) conduct feature engineering analysis, including generation, preprocessing, and selection of features, (3) construct, evaluate and compare the performance of...

  7. Hands-on Teaching with Jupyter Notebooks on nanoHUB

    04 Oct 2022 | | Contributor(s):: Michael Earl Reppert

    Dr. Reppert will discuss his use of nanoHUB Jupyter Notebook-based content in college Chemistry courses, focusing on nanoHUB's unique possibilities for hands-on simulation, visualization, and programming projects.

  8. Sep 06 2022

    Hands-on Teaching with Jupyter Notebooks on nanoHUB

    Hands-on Teaching with Jupyter Notebooks on nanoHUBDate and TimeSeptember 6, 2022; 1:00 - 2:00 PM EDTPresenterMichael Reppert, Ph.D., Assistant Professor at Purdue UniversityRegister...


  9. SVR Machine Learning Workshop

    08 Aug 2022 | | Contributor(s):: Davis McGregor

    Introductory tutorial on support vector regression (SVR) machine learning, cross validation, and hyperparameter tuning.

  10. Blockchain & Proof of Useful Work

    01 Jul 2022 | | Contributor(s):: Alejandro Strachan, Oneal Douglin, Yu-Chung Chang, Alfonso Daniel Meraz, Brian Hyun-jong Lee, Shivam Tripathi

  11. Message-Passing Neural Networks for Molecular Property Prediction Using Chemprop

    06 May 2022 | | Contributor(s):: Kevin Greenman

    Chemprop is an open-source implementation of a directed message passing neural network (D-MPNN) that has been demonstrated to be successful in predicting a variety of molecular properties, including solvation properties, optical properties, infrared spectra, and toxicity....

  12. Example nanoHUB Jupyter App using a public GitHub repo

    28 Apr 2022 | | Contributor(s):: nanoHUB Engagement

    An example nanoHUB Jupyter app using the GitHub repo

  13. How to clean up your nanoHUB file space

    20 Apr 2022 | | Contributor(s):: Tanya Faltens

    This video tutorial demonstrates three ways of cleaning up your nanoHUB filespace, using your sessions module, or using the Jupyter dashboard or terminal.

  14. Pilling-Bedworth Ratio Calculator

    15 Apr 2022 | | Contributor(s):: Zachary D McClure, Alejandro Strachan

    Query unit cell structures from the Materials Project and calculate Pilling-Bedworth Ratio between metal and oxides

  15. Pi Day Python Workshop 2022

    19 Mar 2022 | | Contributor(s):: Yu-Chung Chang

    Jupyter notebooks for the 2022 Pi Day Python Workshop

  16. Blockchain and proof of work lab

    16 Dec 2021 | | Contributor(s):: Oneal Douglin, Yu-Chung Chang, Alfonso Daniel Meraz, Shivam Tripathi, Brian Hyun-jong Lee, Alejandro Strachan

    Learn about blockchain with apps and interactive computing

  17. Integrating Machine Learning with a Genetic Algorithm for Materials Exploration

    07 Dec 2021 | | Contributor(s):: Joseph D Kern

    In this talk, we will explore how this algorithm can be used for materials discovery.

  18. Gateways 2021 Tutorial: SimTools—Software tools that are FAIR

    07 Dec 2021 | | Contributor(s):: Steven Clark, Daniel Mejia, Alejandro Strachan

    In this tutorial, we will walk attendees through how SimTools operate within the nanoHUB.org gateway. In a 90-minute session designed for beginners, attendees will create an account on nanoHUB to complete hands-on activities during the tutorial. Some experience with Python is preferred.

  19. Polymer Genetic Algorithm

    05 Nov 2021 | | Contributor(s):: Joseph D Kern

    Generalized genetic algorithm designed for materials discovery.

  20. Autonomous Neutron Diffraction Explorer

    01 Nov 2021 | | Contributor(s):: Austin McDannald

    Autonomously control neutron diffraction experiments to discover order parameter.