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How to build top-100 data from zinc 25k #4

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@pxyarsenal

Hi, thank you for resolving my previous issue, but I have encountered a new one. As mentioned in your paper: "We use the ZINC 250K (Sterling and Irwin, 2015) dataset to retrieve the top-100 reference molecules for the scientist agent’s prompt." The code also uses the file path "dataset/250k_top_100/{task_name}_score.json". Could you please provide the code for the retriever? Thanks again.

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