ConTact decomposes CDR design into surface fingerprint learning, contact prediction, and contact-gated sequence generation using distance-biased attention and weighted loss, reporting 7% RMSD and 10% F1 gains on CHIMERA-Bench.
arXiv preprint arXiv:2203.06125 , year=
9 Pith papers cite this work. Polarity classification is still indexing.
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SoftBlobGIN combines ESM-2 representations with protein contact graphs via a lightweight GNN and differentiable substructure pooling to achieve 92.8% accuracy on enzyme classification, raise binding-site AUROC to 0.983, and generate auditable structural explanations without retraining the language模型
AgForce improves antigen-conditioned antibody design by using framework dropout, gated bottlenecks, hyperbolic cross attention, MDN sequence head with Potts-like coupling, annealed MCL, and antigen cycle consistency to achieve 8% better amino acid recovery and superior binding metrics on CHIMERA-BEN
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%.
Yeti is a compact tokenizer for protein structures that delivers strong codebook use, token diversity, and reconstruction while enabling from-scratch multimodal generation of plausible sequences and structures with 10x fewer parameters than ESM3.
L3-PPI reformulates PPI pair classification as graph classification over a prompt graph with controlled virtual L3 paths to inject the biological interaction prior and boost performance on existing models.
PRIME is a five-level hierarchical equivariant graph model for proteins that uses physics-informed deterministic operators to exchange information across scales and achieves state-of-the-art results on fold classification and reaction class prediction.
BioBlobs compresses proteins into a small set of cohesive substructures and predicts function from these blobs alone, recovering catalytic sites from protein-level labels across multiple encoders.
STELLA aligns ESM3 bimodal sequence-structure encodings with Llama-3.1-8B text modeling to claim state-of-the-art results on protein functional description prediction and enzyme-catalyzed reaction prediction.
citing papers explorer
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ConTact: Contact-First Antibody CDR Design via Explicit Interface Reasoning
ConTact decomposes CDR design into surface fingerprint learning, contact prediction, and contact-gated sequence generation using distance-biased attention and weighted loss, reporting 7% RMSD and 10% F1 gains on CHIMERA-Bench.
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Structural Interpretations of Protein Language Model Representations via Differentiable Graph Partitioning
SoftBlobGIN combines ESM-2 representations with protein contact graphs via a lightweight GNN and differentiable substructure pooling to achieve 92.8% accuracy on enzyme classification, raise binding-site AUROC to 0.983, and generate auditable structural explanations without retraining the language模型
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AgForce Enables Antigen-conditioned Generative Antibody Design
AgForce improves antigen-conditioned antibody design by using framework dropout, gated bottlenecks, hyperbolic cross attention, MDN sequence head with Potts-like coupling, annealed MCL, and antigen cycle consistency to achieve 8% better amino acid recovery and superior binding metrics on CHIMERA-BEN
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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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Yeti: A compact protein structure tokenizer for reconstruction and multi-modal generation
Yeti is a compact tokenizer for protein structures that delivers strong codebook use, token diversity, and reconstruction while enabling from-scratch multimodal generation of plausible sequences and structures with 10x fewer parameters than ESM3.
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Learning the Interaction Prior for Protein-Protein Interaction Prediction: A Model-Agnostic Approach
L3-PPI reformulates PPI pair classification as graph classification over a prompt graph with controlled virtual L3 paths to inject the biological interaction prior and boost performance on existing models.
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PRIME: Protein Representation via Physics-Informed Multiscale Equivariant Hierarchies
PRIME is a five-level hierarchical equivariant graph model for proteins that uses physics-informed deterministic operators to exchange information across scales and achieves state-of-the-art results on fold classification and reaction class prediction.
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BioBlobs: Unsupervised Discovery of Functional Substructures for Protein Function Prediction
BioBlobs compresses proteins into a small set of cohesive substructures and predicts function from these blobs alone, recovering catalytic sites from protein-level labels across multiple encoders.
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STELLA: A Multimodal LLM for Protein Functional Annotation via Unified Sequence-Structure Encoding
STELLA aligns ESM3 bimodal sequence-structure encodings with Llama-3.1-8B text modeling to claim state-of-the-art results on protein functional description prediction and enzyme-catalyzed reaction prediction.