Commit History
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use openfold features
28974f4
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add 2d conformers
1ee751f
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only retain first ligand if there are multiple copies
bc9f870
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Filter common ligands and ligands with <3 atoms
also expand multiple copies of the same ligand binding to the same receptor into separate rows (e.g., one bound ligand per chain)36d87d5 -
minimum number of ligand atoms is 3
6297930
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initial commit
1d7245f