Datasets:

SeanWan05
/

MolAS-Active-Learning

# 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.

	# 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.