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Adjust How We Pick which Ligand to Generate On-the-Fly #92

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WardLT opened this issue Apr 3, 2024 · 0 comments
Open

Adjust How We Pick which Ligand to Generate On-the-Fly #92

WardLT opened this issue Apr 3, 2024 · 0 comments
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enhancement New feature or request steering Relating to the orchestration logic (Colmena)

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@WardLT
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WardLT commented Apr 3, 2024

@meschw04 had an idea yesterday that we could do better than the "round-robin" approach for picking which ligand to generate.
Maybe we pick which to run next randomly, and weigh the selection based on which have numbers of atoms tend to be more successful in generating quality ligands.

@WardLT WardLT added enhancement New feature or request steering Relating to the orchestration logic (Colmena) labels Jan 14, 2025
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Labels
enhancement New feature or request steering Relating to the orchestration logic (Colmena)
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