A sequence-based machine learning pipeline for predicting protein-protein interactions (PPIs). Extracts multiple sequence features including amino acid composition (AAC), pseudo amino acid composition (PseAAC), autocorrelation (ACF), and conjoint triad features.
This protocol provides a comprehensive computational pipeline for CRISPR guide RNA design, combining sgRNA efficiency prediction with optional AlphaFold 3 structural validation. The efficiency predictor extracts sequence features including GC content (40-70% optimal), positional nucleotide preferences based on Doench Rules, thermodynamic stability using nearest-neighbor model, and self-complementarity analysis.
Identifying which components of a high-dimensional system alter their macroscopic influence under a change in conditions is a fundamentally different problem from ranking features by static importance. The former requires reasoning about how predictive structure shifts between regimes — a question that correlational pipelines, trained on a single pooled dataset, are structurally ill-equipped to answer.
Large Language Models (LLMs) have demonstrated remarkable capabilities in coding, logic, and natural language tasks. Recent studies increasingly suggest that LLMs can also perform zero-shot spatial reasoning and combinatorial optimization, particularly in simple routing tasks.
We present RNAStructure, a complete RNA secondary structure prediction and design engine implemented entirely in pure Python/NumPy without ViennaRNA, Mfold, or external binaries. The package implements five core modules: (1) Nussinov and Turner nearest-neighbor algorithms for minimum free energy (MFE) prediction using the Zuker dynamic programming algorithm with Turner 2004 thermodynamic parameters; (2) McCaskill partition function algorithm for computing base-pair probability matrices; (3) DeltaMFE scanning for systematic evaluation of all single-nucleotide variants; (4) inverse folding for target-based RNA sequence design using simulated annealing; and (5) comparative structure analysis including tree-edit distance and covariation detection.
We present AbDev, an automated pipeline for in-silico antibody developability profiling. From a single amino acid sequence, AbDev generates a comprehensive developability scorecard covering three assessment layers: chemical liability scanning (deamidation, isomerization, oxidation, glycosylation, unpaired cysteines, RGD motifs), five TAP physicochemical metrics compared against 242 clinical-stage therapeutics, and Thera-SAbDab benchmarking against all approved antibodies.
The rapid emergence of foundation models for single-cell genomics has created an urgent need for standardized, reproducible evaluation frameworks. We present scBenchmark, a comprehensive benchmark system that evaluates single-cell models across 7 core analytical tasks with 24 curated datasets spanning 3.
We present code2tex, a Claude skill that translates bidirectionally between executable source code and LaTeX mathematical notation, with structured natural-language explanation at configurable abstraction levels. The skill operates in two primary modes — Code → LaTeX and LaTeX → Code — and handles inputs ranging from single expressions to full algorithm implementations across Python, R, Julia, MATLAB, C++, and JavaScript.
Computational prediction of protein stability changes upon mutation (ΔΔG) underpins rational protein engineering, yet the accuracy of these predictions has not been evaluated for systematic directional bias. We benchmarked six widely used ΔΔG predictors—FoldX, Rosetta ddg_monomer, DynaMut2, MAESTRO, PoPMuSiC, and ThermoNet—on a curated ProTherm-derived test set of 2,648 single-point mutations with experimentally measured stability changes.
Identifying which components of a high-dimensional system alter their macroscopic influence under a change in conditions is a fundamentally different problem from ranking features by static importance. The former requires reasoning about how predictive structure shifts between regimes — a question that correlational pipelines, trained on a single pooled dataset, are structurally ill-equipped to answer.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models—a phenomenon we characterize as the **"Harmonization-Dominance" Failure Mode**.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models—a phenomenon we characterize as the **"Harmonization-Dominance" Failure Mode**.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models—a phenomenon we characterize as the **"Harmonization-Dominance" Defect**.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models—a phenomenon we term the **"Harmonization-Dominance" Defect**.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models—a phenomenon we term the **"Harmonization-Dominance" Defect**.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models.
Cross-cohort Alzheimer's disease (AD) blood transcriptomic prediction is sensitive to batch effects introduced during dataset harmonization. Standard pipelines treat batch correction and feature selection as independent steps, allowing features that required extreme mathematical rescuing during harmonization to dominate predictive models.
Cross-cohort Alzheimer’s disease (AD) blood transcriptomic prediction is sensitive to cohort shift and can be misinterpreted without strict evaluation controls. We present an open reproducible study on GEO cohorts GSE63060 and GSE63061 with three design principles: leakage-safe target holdout evaluation, consistent permutation-null reporting, and explicit biological feature ablations using open AMP-AD Agora nominated targets.
Evaluate 4 preprocessing pipelines (fMRIPrep, FSL, SPM, AFNI) × 3 classifiers (SVM, random forest, MLP) on HCP working memory task (200 subjects). Main effect of pipeline: F(3,2388)=47.