December 2017

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04/12/2017 - 10:00 to 05/12/2017 - 17:00
 
04/12/2017 - 10:00 to 05/12/2017 - 17:00
 
05/12/2017 - 09:00 to 16:00
 
07/12/2017 - 14:00 to 15:00
 
07/12/2017 - 14:00 to 15:00
 
08/12/2017 - 10:30 to 12:00
 
08/12/2017 - 13:00 to 15:30
 
 
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12/12/2017 - 09:00 to 13/12/2017 - 17:00
 
12/12/2017 - 10:00 to 15:00
 
12/12/2017 - 09:00 to 13/12/2017 - 17:00
 
13/12/2017 - 12:00 to 13:00
 
 
15/12/2017 - 12:30 to 15:00
 
 
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22/12/2017 - 10:30 to 12:00
 
 
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Events

13/09/2017 - 10:00

Open Chemistry Avogadro, Chemical Data, and JupyterLab

The Avogadro project turned ten last year, hear about the 1.x series in maintenance, and some of the new work on Avogadro 2.x as we work to finally make the 2.0 release. Avogadro 2 is more scalable, and designed as a number of libraries addressing more than just graphics. These libraries are used in a traditional desktop application capable of editing, input generation for codes, and analysis of output. It is essential that tools are made available that make is easier for those generating new data to store, search, and share their data with the wider community. Furthermore, strong links are needed to government databases to link to existing data, reuse what is available, and ideally link new data to existing data using semantic web technologies.

Progress on a new open source project will be described, discussing a platform for chemical data being developed in a collaboration between Kitware and LBNL. This ambitious project offers search, data analytics, delivered using modern web technologies for interactive visualization of chemical data. These capabilities are being coupled with an electronic notebook interface, high-performance computing resources, and a powerful data server exposing RESTful API. The platform puts data creation at the center of the workflow, with reproducible lab notebooks, to automatically create data entries that are available within the notebook, over the web using industry standard web programming interfaces, and as part of the linked semantic web. Data formats are also being developed and extended, along with work to integrate experimental data in order to augment predictive capabilities of in-silico simulations.

Wednesday 13th September, 10.00-11.00, VC1, Hartree Building

 

12/09/2017 - 10:00

Open discussion at 10am on Core Imaging Library additions; followed by discussion on Flagship code from 11am. Held in Atlas Visualisation Facility (RAL Campus)

 

 

11/09/2017 - 14:00

Dr Marcus Hanwell from Kitware Inc. "Tomviz: Visualization of Tomography and Reproducible Data Processing Pipelines" Monday 11 September - 2pm Atlas Visualisation Facility (RAL, Harwell Campus)
Software "Show-and-Tell": http://www.tomviz.org/ Contact: Sri Nagella (srikanth.nagella@stfc.ac.uk) / Martin Turner (martin.turner@manchester.ac.uk)
 
The open source Tomviz project was developed to address these challenges of materials tomography, managing a complex series of steps going from raw data to reconstructed visualizations using a reproducible data pipeline. Tomviz recently made its 1.0 release, collaboratively developed by Kitware and Cornell. Up until now it has focused primarily on S/TEM tomography for materials at atomic resolutions, but is now entering an exciting phase of expansion to support a broader array of tomography researchers. The pipeline is also being extended to execute out of process, optionally using HPC/cloud processing resources.
 
Tomvis offers a cross-platform desktop application, leveraging Python, SciPy, and NumPy coupled with the powerful ParaView, VTK and ITK projects to offer a specialized interface for materials scientists. The pipeline offers Python data operators that can be edited in the interface, saved, rerun, and edited further to process, visualize and export data with a view of the 3D tomographic data. We are actively seeking input as we enter this new stage of development, and would welcome open data sets that illuminate diverse use cases that are currently presenting challenges. I will also show some related projects looking at data storage, sharing, and dissemination on the web using an open data platform.

07/09/2017 - 09:00

Research Software Engineers, the Second Conference will be held at the Museum of Science and Industry in Manchester on the 7th-8th September 2017. The deadline is Friday 28th April, with an early deadline of Friday April 7th for those who want to apply for £250 travel bursaries. http://rse.ac.uk/conf2017/calls

06/09/2017 - 09:00
05/09/2017 - 15:15

Held at the MXIF in University of Manchester over cake: contact martin.turner@manchester.ac.uk

05/09/2017 - 14:00

Software Show-and-Tell session "Tomviz: Visualization of Tomography and Reproducible Data Processing Pipelines" http://www.tomviz.org/ In Frank Adams 1, 1st Floor Alan Turing Building Tuesday 5th September 2pm
 
Dr Marcus Hanwell from Kitware Inc. will be speaking on  "Tomviz: Visualization of Tomography and Reproducible Data Processing Pipelines" http://www.tomviz.org/
 
In Frank Adams 1, 1st Floor Alan Turing Building
 
Abstract:
The open source Tomviz project was developed to address these challenges of materials tomography, managing a complex series of steps going from raw data to reconstructed visualizations using a reproducible data pipeline. Tomviz recently made its 1.0 release, collaboratively developed by Kitware and Cornell. Up until now it has focused primarily on S/TEM tomography for materials at atomic resolutions, but is now entering an exciting phase of expansion to support a broader array of tomography researchers. The pipeline is also being extended to execute out of process, optionally using HPC/cloud processing resources.
 
Tomvis offers a cross-platform desktop application, leveraging Python, SciPy, and NumPy coupled with the powerful ParaView, VTK and ITK projects to offer a specialized interface for materials scientists. The pipeline offers Python data operators that can be edited in the interface, saved, rerun, and edited further to process, visualize and export data with a view of the 3D tomographic data. We are actively seeking input as we enter this new stage of development, and would welcome open data sets that illuminate diverse use cases that are currently presenting challenges. I will also show some related projects looking at data storage, sharing, and dissemination on the web using an open data platform.
 

RSE UK-USA Exchange; Marcus Hanwell from Kitware has been awarded an EPSRC grant to exchange information across related RSE groups in 3D tomographic visualisation and processing. The schedule so far is:

  • Tuesday 5 September 2017: University of Manchester 'software show-and-tell'
  • Wednesday-Friday 6-8 September 2017: ToScA @ University of Portsmouth
  • Monday-Tuesday 11-12 September 2017: RAL (Harwell Campus), STFC
  • Wednesday 13 September 2017: Daresbury Labs, STFC

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