datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
Binding-Affinity
SupraBench Binding Affinity — Comprehensive Anchor Dataset
📄 Paper: arXiv:2606.13477
💻 Code: https://github.com/Tianyi-Billy-Ma/SupraBench
Each row is a host–guest binding-affinity record from SupraBench, enriched with
full molecular-structure data for both the host and the guest (SMILES, a 2D
depiction, and a 3D conformer) plus the experimental environment (solvent,
temperature, pH). It is the structure-complete companion to the
SupraBench/bap task split.… See the full description on the dataset page: https://huggingface.co/datasets/SupraBench/Binding-Affinity.uniprot_binding_sites_multiple-multimodal