Date
1/20/2021
These notes are now shared outside confluence to be accessible to a larger group: https://docs.google.com/document/d/1b9h8MWCAcp7zpE_BWshL0-zwcqZBT33bXU3rGkPCR74/edit
Participants
...
Gabe Rocklin (Northwestern)
Tom Cheatham (U of U)
Adrian Roitberg
Bernie Brooks
Erik Lindahl
Emad Tajkhorshid
Samuli Ollia (U of HelskiniHelsinki) (if we include lipids now)
...
Kresten Lindorff-Larsen
Some D. E. Shaw people?
Mechanisms for compiling :data sets
Start with a phone call to brainstorm data sets
Potentially “prime the pump” with a brainstorm of existing data sets and plans.
Lay out criteria for inclusion: must be an open data easily and automatically accessible to others
OpenForce Field is not required to use exactly this dataset - we may only use a subset (it WILL be a subset, since we will propose anything we plan to use).
Allow people who can’t make the phone call help brainstorm on documents.
Iterate virtually for a set amount of time on documents describing the data set.
Documents include description of the data sets, and how they will be stored, distributed, and documented.
Have another phone call to finalize data set
Have a specific mechanism for compiling and distributing the data.
Discussion topics
Time | Item | Presenter | Notes |
|---|---|---|---|