Helmholtz-AI-Energy / Helmholtz-AI-Energy/propulate

Integrate FLAPS into Propulate.

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#65 0 comments 0 reactions 1 assignee Claimed by @mcw92 View on GitHub
enhancement
Dominant language
Python
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46
Forks
9
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No merged PRs in 30d

Description

Integrate **FL**exible self-**A**dapting **P**article **S**warm solver into Propulate:

Weiel, M., Götz, M., Klein, A. et al. Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions. Nat Mach Intell 3, 727–734 (2021). https://doi.org/10.1038/s42256-021-00366-3

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