The results suggest that geometric stability and inference-time property guidance should be considered as coupled design objectives, whereas stronger guidance can degrade geometry and distributional fidelity.
This work provides a scalable framework for predicting oligonucleotide melting behavior across diverse chemistries and assay conditions, supporting more reliable molecular assay design and demonstrating that learned sequence representations can complement classical thermodynamic models by capturing context-dependent ef...
Danielle L. Ferreira, Li-Feng Lin, Adam Aslam et al.· 0 citations
Net charge is a developability-relevant property of therapeutic binders, linked to viscosity, clearance, nonspecific interaction and aggregation, and antibody screens already use charge-related criteria, but inverse-folding pipelines expose no way to set it to a target value.
Results indicate that the proposed framework can effectively reconstruct missing protein regions by integrating local sequence learning, homologous evidence, peptide mass constraints, and biochemical validation.
Tahmid Enam Shrestha, M. Hasan, M. Islam· 0 citations
Reach audiences
Advertise in front of researchers, engineers, and readers.
This work translates the peptide identification problem into an image-classification task by transforming each resistive pulse into a scaleogram via the continuous wavelet transform, a representation that jointly encodes amplitude, frequency, and time in a form well suited for deep convolutional models.
S. Tovey, Julian Hoßbach, Sandro Kuppel et al.· arXiv.org· 1 citation
It is argued that a disconnect between the goals of machine-learning-assisted directed evolution researchers--"identify an optimal protein"--and the goals of directed evolution more broadly--"identify a sufficient protein given time and resource constraints"--is a principal culprit.
This work presents SimpleDesign, an effective multi-modal protein design model trained directly in the data space that leverages a single-stage end-to-end objective that combines discrete cross-entropy for sequences and a regression objective for structures.
CliffRank trains two parallel predictors with mean squared error, a thresholded listwise loss, and Pairwise Preference Consistency (PPC), which aligns relative ordering in the preference-probability space, and defines its practical limits.
Ke-Wei Li, Rong Zhang, Pei-Yu Yang et al.· 0 citations
This work introduces function-aware masking, a family of pretraining algorithms that align mask placement with specific functional priors (e.g., from IMGT annotations or structure predictions) to shape the learned representation space, and demonstrates that informed mask placement provides a parameter-free mechanism fo...
Ayan Goel, Thomas Walton, Amirali Aghazadeh· 0 citations
Frequency-Domain Latent-attention Gated Pooling (FLaG), a plug-in aggregation module that re-expresses encoder outputs in the Fourier domain before final pooling, provides a transferable frequency-domain aggregation bias across protein, visual, and textual representations, with benefits that depend on the backbone and...
Ke-Wei Li, Rong Zhang, Xuelin Wang et al.· 0 citations
A simple, sequence-only pipeline can match and surpass leading methods by combining 330 interpretable sequence descriptors with TabPFN, a tabular foundation model that performs in-context prediction in a single forward pass without gradient-based training or hyperparameter search.
Anuj Pal, Raunak Kumar, D. Solanki et al.· bioRxiv· 0 citations
Results show that explicitly teaching the relation between a molecule and its structural core can reliably shape the organization of molecular embedding space, while the extent of usefulness of this organization remains task dependent.
David Sulu, Lorenzo Di Fruscia, Jana M. Weber· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.