OpenFreeEnergy / OpenFreeEnergy/openfe

store protocol metadata

Open
#1,451 5 comments 0 reactions 1 assignee View on GitHub

@IAlibay is already working on this.

Since Jul 28, 2025.

Dominant language
Python
Stars
331
Forks
56
Avg merge
3d 9h
Merged PRs (30d)
13

Description

as raised by @billswope offline:

We should be storing metadata such as system size, number of counter ions, equilibration and production time, time step. I believe @IAlibay has some work in progress on this.

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