Datasets:
Add paper link and code link to dataset card (supersedes PR)
Browse files
README.md
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# SupraBench Binding Affinity — Comprehensive Anchor Dataset
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Each row is a host–guest **binding-affinity record** from SupraBench, enriched with
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full molecular-structure data for **both** the host and the guest (SMILES, a 2D
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depiction, and a 3D conformer) plus the **experimental environment** (solvent,
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# SupraBench Binding Affinity — Comprehensive Anchor Dataset
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- 📄 **Paper:** [`arXiv:2606.13477`](https://arxiv.org/abs/2606.13477)
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- 💻 **Code:** https://github.com/Tianyi-Billy-Ma/SupraBench
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Each row is a host–guest **binding-affinity record** from SupraBench, enriched with
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full molecular-structure data for **both** the host and the guest (SMILES, a 2D
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depiction, and a 3D conformer) plus the **experimental environment** (solvent,
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