Skip to content

Create custom opefe-benchmarks gather script run on a list of alchemical archives to produce submission file #101

@jaclark5

Description

@jaclark5

Input: List of alchemical archives
Output: ddg or dg in json file with units, and as much metadata we want per edge. i.e., number of repeats, mbar results, raw estimates

gather.py how will it know what is in the network? Can require a meaningful name in the AlchemicalNetwork. You can't change a network, but you could make a new network with a name...

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions