Welcome to the hack pad for HPC0 course from Research Computing at the University of Leeds! You can edit this document using Markdown syntax. Contents Links to resource Further reading Agenda Pre workshop prep 4.1. Windows Users

Premise WebMO is a web interface for running multiple computational chemistry tools. It provides a low-barrier to entry means of doing computational chemistry that is utilised for teaching in the School of Chemistry. Initially, SoC bought a node on ARC4 for teaching but deploying WebMO on this node and making it available off campus was deemed too difficult. Requirements 2022 For the 2022 deployment Andrew would like: WebMO 2022 (license 2007-1502-5479) Installation of chemistry toolsORCA, source files provided to Alex Coleman

Rough hackpad for N8 CIR GPU Python workshop based on Carpentries Incubator lesson. Format Previous discussion suggested this workshop should be delivered in 2 parts: In person 28th February 2023 in Newcastle Virtual 18th April 2023 Agenda In person

Details Profile link Core role remit Web app development to enable collection of data representing future investment plans nationwide Development of software to deliver geographic datasets in an intuitive user interface, in collaboration with a frontend developer and data scientists, to support the design of active travel infrastructure Supporting the development of digital architecture and cloud based services for internal use, in collaboration with digital architects Collaboration with data engineers to develop web APIs that will make valuable datasets on active travel available to the people and services that need them, internally and externally Responsibilities

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Facing the future of RSE: building a modern RSE Service Where we are Research Computing Viewed as a helpful, accessible team for researchers in IT Run the ARC systems and provide training Services offered

Steps outlining how to set up JupyterLab on the WebMO server and port forward for access on a local web browser. Steps We need to run JupyterLab as the webmo user so we'll need to install miniconda as webmo in their home directory. After connecting to the WebMO server do the following: # we log in as webmouser so need to switch user to webmo $ sudo su webmo # move to /home/webmo

Courses Alternate Carpentries Python course, introduces basic concepts again with a focus on dataframes and plotting - http://swcarpentry.github.io/python-novice-gapminder/ RealPython, good tutorial website, with lessons in chunks, some require registration but some are free - https://realpython.com/ Websites Google Colab, free (need google account) Python notebook environments in the cloud - https://colab.research.google.com/ Kaggle, data science focused website with tutorials on using python tools for data analysis and machine learning - https://www.kaggle.com/learn

This is just an open hackpad for the organising committee to add some reflections from the conference. Don’t mute zoom for live stream (managed to mute 3 talks in a row in lightning talk session) Just run continuous sessions on Zoom, the keynote and separate research portfolio calls and streams provided tricky Better management of zoom calls, probably worth adding a separate account for managing call outside of streaming device Give the caterers another number! One error on schedule (order of day 1 lightning talks) Probably want a proper afternoon break for refreshments If all speakers were present would have easily overran (10min talks should really be 4 in a session, end at hh40, 20mins for questions/changeover) Good/ positive feedback regarding catering & refreshments - future thoughts could possibly be thinking about the amounts of catering & refreshments provided/ required in the view of being more cost effective and reduction in waste (footfall of those eating)

Session Chair Cheat sheet Ask speakers to confirm the pronounciation of their name, make a note Introduce yourself, the session title, explain that questions will be taken at the end and that you will invite 3 questions directed any any of the speakers (unless time allows for more) Explain to speakers where the microphones are (typically a bar on the presenting device desk) Explain to the speakers how the slide clicker works (I will demo this previously) Agree a signal with your participants on a time warning (i'll bring some A4 paper) Generic questions: What are the next steps for your project?

26th and 27th July 2022 Apologies Agenda 1300, Welcome 1305, Matters arising (going through actions) 1315, Conference jobs 1330, Any other business

26th and 27th July 2022 Apologies Georgette Tanner Viktoria Spaiser Agenda 1100, Welcome

26th and 27th July 2022 Apologies Georgette Tanner Lucy Hobson Agenda 0930, Welcome

26th and 27th July 2022 Apologies Anna-Grace Linton Agenda 1400, Welcome 1410, Matters arising (going through actions) 1430, Registration update

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26th and 27th July 2022 Apologies Martin C (at an exam board :( ) Lucy Hobson Agenda 1300, Welcome 1310, Matters arising (going through actions)

In this brief tutorial we'll cover how to deploy a dockerised shiny application to the azure app service. Setup You will need: Docker installed A command line environment (WSL, Linux or Mac Terminal) A copy of https://github.com/Sparrow0hawk/shiny-docker-azr either via git clone or by downloading a .zip An azure account Within your Ubuntu windows subsystem for linux you will need:

26th and 27th July 2022 Apologies Ben Hanson Agenda 0930, Welcome 0935, Introductions

Welcome to the hack pad for SWD1a course from Research Computing at the University of Leeds! You can edit this document using Markdown syntax. Contents Links to resource Agenda Day 1 Agenda Day 2 Agenda Day 3

Welcome to the LIDA-Turing Data Study Group (DSG) 2021! 🎉 During the DSG we'll be doing all computational work on Data Science Virtual Machines (DSVM) provided through Microsoft Azure. In this hackpad we'll walkthrough the steps of registering for a DSVM and connecting. Contents Azure labs (VET-AI, Morrisons, OSNI, Network rail groups) Prerequisites