h-MINT improves ligand-protein binding affinity prediction by 2-4% and virtual screening metrics by 1-3% via overlapping fragment tokenization and hierarchical modeling.
Atom3d: Tasks on molecules in three dimen- sions
6 Pith papers cite this work. Polarity classification is still indexing.
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EvoStruct integrates evolutionary priors from a protein language model with structural priors from an E(3)-equivariant GNN to raise amino acid recovery by 16% and diversity by 2.3x on CHIMERA-Bench while cutting perplexity 43%.
D-Flow applies multi-modality flow matching and a mirror-image data augmentation to generate D-peptides with 10.2% higher sequence identity and 24.31% top affinity on the PepMerge benchmark.
citing papers explorer
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h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network
h-MINT improves ligand-protein binding affinity prediction by 2-4% and virtual screening metrics by 1-3% via overlapping fragment tokenization and hierarchical modeling.
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EvoStruct: Bridging Evolutionary and Structural Priors for Antibody CDR Design via Protein Language Model Adaptation
EvoStruct integrates evolutionary priors from a protein language model with structural priors from an E(3)-equivariant GNN to raise amino acid recovery by 16% and diversity by 2.3x on CHIMERA-Bench while cutting perplexity 43%.
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D-Flow: Multi-modality Flow Matching for D-peptide Design
D-Flow applies multi-modality flow matching and a mirror-image data augmentation to generate D-peptides with 10.2% higher sequence identity and 24.31% top affinity on the PepMerge benchmark.
- DPA4: Pushing the Accuracy-Cost Frontier of Interatomic Potentials with EMFA SO(2) Convolution
- AgForce Enables Antigen-conditioned Generative Antibody Design
- ConTact: Contact-First Antibody CDR Design via Explicit Interface Reasoning