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Fixed plapt_cli.py to apply score_candidates and predict_affinity#15

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Fixed plapt_cli.py to apply score_candidates and predict_affinity#15
csecker wants to merge 1 commit intoBindwell:mainfrom
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@csecker csecker commented Feb 1, 2026

Previously, plapt_cli.py only called the predict_affinity function, which seems to be for scoring protein-ligand pairs only (according to README.md). It was also passing the first target sequence only (args.target[0]) in predict_affinity, which raises a ValueError when the function checks for the length of the input targets and input molecules.

plapt_cli.py now uses predict_affinity for scoring protein-ligand pairs, if there are the same number of targets and molecules. If there are more or less molecules than targets, score_candidates is used (scoring all molecules on the first target provided).

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