Add GPCR sets - #125

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hannahbaumann wants to merge 13 commits into

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add_membrane_sets

Commits on Apr 24, 2026

Add first round of inputs
hannahbaumann
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ad7ce0d

Commits on Jun 18, 2026

Merge branch 'main' into add_membrane_sets
hannahbaumann
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e224ede
add ligands without charges
hannahbaumann
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6c6b6e3
Partial charges first part
hannahbaumann
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6ce04f0
Minimize ox2 ligand set1 13 to avoid clash h atoms
hannahbaumann
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6adddfb
Merge branch 'add_membrane_sets' of github.com:OpenFreeEnergy/openfe-benchmarks into add_membrane_sets
hannahbaumann
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1478e7a
More charges
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e1b4727

Commits on Jun 19, 2026

More partial charges
hannahbaumann
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a009776
remove old am1bcc
hannahbaumann
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feee385
add protonation details
hannahbaumann
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6f9a7fe
Add lomap networks
hannahbaumann
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cdb5a13
Add index
hannahbaumann
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efb1061
Add exp data
hannahbaumann
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4cfd2da