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OpenFreeEnergy
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Fraction of best ligands
- #164
#164
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jthorton
merged 8 commits into
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OpenFreeEnergy/cinnabar:main
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feat_fobl
OpenFreeEnergy/cinnabar:feat_fobl
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Oct 21, 2025
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Fraction of best ligands
#164
jthorton
merged 8 commits into
main
OpenFreeEnergy/cinnabar:main
from
feat_fobl
OpenFreeEnergy/cinnabar:feat_fobl
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Commits on Oct 16, 2025
add fob ligands metric and tests
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add news
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pin sphinx?
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Commits on Oct 20, 2025
remove the pin
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fix accent color
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Commits on Oct 21, 2025
[pre-commit.ci] auto fixes from pre-commit.com hooks
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refactor compute_fraction_best_ligands function for clarity and efficiency
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Merge remote-tracking branch 'origin/feat_fobl' into feat_fobl
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