New Tools Developed at NOMAD Hackathon
The NOMAD Hackathon, held 18 - 20 Jan 2017 at the Berlin Big Data Centre, was a great success!
There were 26 attendees at the Hackathon and all those who attended showed great dedication and skills.
We focused on developing the following projects:
- VQuery (graphical-user-interface for queries, includes interface with metadata browser),
- DataBrowser (analyzing result of queries I: metadata browser populated with actual data),
- GraphBrowser (analyzing result of queries II: "image gallery"),
- HStats (analyzing result of queries III: statistics),
- PTable (analyzing result of queries IV: for queries over the periodic table, visualize the result in a periodic table),
- ErrorBars (error bar estimator for different calculations settings over all elements),
- Rinse & Repeat (similarity-based embedding),
- BI-SIS (sure-independent-screening for octet binaries),
- ClusterE (cluster expansion),
- LearnLat (prediction of lattice constants for octet binaries and (IV group) ternary),
- ActiCO2 (carbon dioxide activation on surfaces),
- FF-Fit (tool to determine if a dataset is large/complex enough for fitting a predictive force field), and
- Reporter 1 & 2 (data-integration of the repository in the archive).
Some of the tools that were developed at the Hackathon will be presented at our second Industry Meeting in Hamburg (06 - 07 Feb 2017). Other tools will be presented at future meetings.