Datasets:
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84a242a | 1 2 3 4 5 6 7 8 9 | # Attribution and release scope
This is the data/artifact companion to https://github.com/SeanWan514/MolAS_Active_Learning.
Authors: Sean Wan, Jiabao Brad Wang, and Mustafa Misir (Duke Kunshan University).
The author-owned data contribution license is CC BY 4.0 (LICENSE_DATA.md). Original software/software documentation use MIT (LICENSE_CODE). The root LICENSE defines the mixed bundle's scope; third-party source materials and their supplied notices are preserved. The archived GitHub licensing notice is historical source evidence rather than a new blanket data license.
The original supplied research inputs and outputs are preserved. Newly created benchmark_cells.csv and protein_graph_index.csv are deterministic reshaping/indexing of existing data and recorded hashes. No docking, model inference/training, or acquisition campaign was performed during preparation.
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