Datasets:
| cff-version: 1.2.0 | |
| 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" | |