Dataset · Hugging Face

introvoyz045/topu-lbvs

Name: topu-lbvs
Creator: introvoyz045
License: cc-by-sa-4.0
Keywords: task_categories:tabular-classification, language:en, license:cc-by-sa-4.0, size_categories:100K<n<1M, region:us, chemistry, drug-discovery, virtual-screening, ligand-based, molecular-property-prediction, benchmark, chembl, hard-negatives, bioactivity, enrichment-factor

Dataset Card for TopU-LBVS Multi-target benchmark for ligand-based virtual screening (LBVS) under hard-negative screening conditions. Submitted to the NeurIPS 2026 Datasets and Benchmarks track (under review). 📄 Paper: TopU-LBVS: A Realistic Multi-Target Benchmark for Ligand-Based Virtual Screening (Kumar, Zhou, Shiralkar, Huang, Coskunuzer) 💻 Code: https://github.com/topu-benchmark/topu-lbvs 📜 License: CC-BY-SA-4.0 Dataset Description Dataset… See the full description on the dataset page: https://huggingface.co/datasets/introvoyz045/topu-lbvs.

View on Hugging FaceReport an issue

Author / organization	introvoyz045
License (as declared)	cc-by-sa-4.0
Downloads	6 (as reported by Hugging Face)
Likes	0
Created	23 October 2026
Last updated at source	23 October 2026

chemistrydrug-discoveryvirtual-screeningligand-basedmolecular-property-predictionbenchmarkchemblhard-negativesbioactivityenrichment-factor

Embed this entry

<iframe src="https://silytics.si/embed/item/6cc7cc9a-1c31-47bc-81b3-ff9b3ce544c2" width="420" height="190" style="border:0" loading="lazy" title="Silytics entry"></iframe>

Free, no tracking. More about feeds and embeds.

More from introvoyz045

introvoyz045/PhysicalAI-Robotics-GR00T-X-Embodiment-SimDataset
introvoyz045/surgsyncDataset
introvoyz045/DiagGymDataset
introvoyz045/MeWMDataset
introvoyz045/HOI4DDataset
introvoyz045/fipyDataset

Silytics shows public metadata from Hugging Face and links to the original. Information may be incomplete or out of date. Last refreshed 23 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.