Datasets:
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message: "Please cite the associated AI4DD paper when using these research artifacts."
title: "MolAS Active Learning: benchmark data and research artifacts"
type: dataset
url: "https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning"
repository-code: "https://github.com/SeanWan514/MolAS_Active_Learning"
version: "1.0.0"
date-released: "2026-10-31"
# Component-specific dataset/software terms are defined in LICENSE.
authors:
- family-names: Wan
given-names: Sean
affiliation: Duke Kunshan University
- family-names: Wang
given-names: Jiabao Brad
affiliation: Duke Kunshan University
- family-names: Misir
given-names: Mustafa
affiliation: Duke Kunshan University
preferred-citation:
type: conference-paper
title: "Active Learning for Molecular-Docking Algorithm Selection under Heterogeneous Runtime"
authors:
- family-names: Wan
given-names: Sean
- family-names: Wang
given-names: Jiabao Brad
- family-names: Misir
given-names: Mustafa
year: 2026
collection-title: "NeurIPS Workshop on AI for Drug Discovery"
url: "https://openreview.net/forum?id=tSz3wBLABm"
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