datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
binding_affinityA dataset to fine-tune language models on protein-ligand binding affinity prediction.clustered_jglaser_binding_affinityBinding-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.Dataset-ACE2_Omicron_BQ.1.1_binding_affinity
Description
This dataset contains ACE2 binding affinities of mutant SARSCoV-2 XBB.1.5 variants amino acid sequences.
Protein Format: AA sequence
Splits
traing: 3425
valid: 391
test: 386
Related paper
The dataset is from Deep mutational scans of XBB.1.5 and BQ.1.1 reveal ongoing epistatic drift during SARSCoV-2 evolution.
Label
Label means delta mutation effect (ACE2 binding affinities) compre to wildtype, ranging from minus infinity to positive… See the full description on the dataset page: https://huggingface.co/datasets/SaProtHub/Dataset-ACE2_Omicron_BQ.1.1_binding_affinity.Dataset-ACE2_Omicron_XBB.1.5_binding_affinity
Description
This dataset contains ACE2 binding affinities of mutant SARSCoV-2 XBB.1.5 variants amino acid sequences.
Protein Format: AA sequence
Splits
traing: 3388
valid: 408
test: 418
Related paper
The dataset is from Deep mutational scans of XBB.1.5 and BQ.1.1 reveal ongoing epistatic drift during SARSCoV-2 evolution.
Label
Label means delta mutation effect (ACE2 binding affinities) compre to wildtype, ranging from minus infinity to positive… See the full description on the dataset page: https://huggingface.co/datasets/SaProtHub/Dataset-ACE2_Omicron_XBB.1.5_binding_affinity.toy_binding_affinity
Dataset Card for "toy_binding_affinity"
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