Assets for the Materials Project workshop on August 11-12, 2016 in Berkeley, CA.
Thu morning
- 09:00-09:15 Intro
- 09:15-10:30 Web site - walk through selection of apps and material detail pages
- 10:30-10:45 coffee break
- 10:45-12:00 API use - intro MPRester methods, query() syntax, mapidoc repo
- 12:00-13:00 lunch
Thu afternoon
- 13:00-13:15 catch-up/debugging
- 13:15-14:30 Pymatgen core use – going over useful functionality
- 14:30-14:45 coffee
- 14:45-16:00 A manual workflow – using conveniences of Pymatgen and Custodian
Fri morning
- 09:00-09:15 catch-up/debugging
- 09:15-10:30 Automating workflows (Fireworks) – tools for higher throughput
- 10:30-10:45 coffee break
- 10:45-12:00 Reusing workflows (MatMethods) - a framework for composition
- 12:00-13:00 lunch
Fri afternoon
- 13:00-13:15 catch-up/debugging
- 13:15-14:30 Querying your data (MongoDB) – pymatgen-db, flamyngo
- 14:30-14:45 coffee
- 14:45-16:00 Contributing data to MP – introducing MPContribs
If you have push access to the repository, feel free to add assets / works in progress to share here. The preferred format is *.ipynb for tutorial material. For planning, feel free to examine/edit this repository's wiki.