Optimizing Drug Design by Merging Generative AI With a Physics-Based Active Learning Framework
收藏Figshare2025-07-16 更新2026-04-28 收录
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https://figshare.com/articles/dataset/CDK2_docking_results/29582600
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资源简介：
This dataset contains all raw molecular generation and docking data associated with the paper Optimizing Drug Design by Merging Generative AI With a Physics-Based Active Learning Framework. It includes the output from generative models and docking for the two test cases presented in the study (CDK2, KRAS).
创建时间：
2025-07-16
