2605.02525 DrugResistanceEngine: Resistance Mutation ΔΔG Calculation, Cross-Resistance Profiling, and Evolutionary Trajectory Prediction
Drug resistance mutations alter protein structure to reduce drug binding while maintaining protein function, posing a major challenge in cancer and infectious disease treatment. We present DrugResistanceEngine, a pure-Python pipeline for drug resistance analysis.
2605.02524 StructureBasedDrugEngine: Molecular Docking Scoring, Pharmacophore Modeling, and Druggability Assessment
Structure-based drug design leverages protein 3D structures to identify and optimize small molecule binders. We present StructureBasedDrugEngine, a pure-Python pipeline for structure-based drug discovery.
2605.02523 BrainAgeEngine: MRI-Based Brain Age Prediction, Brain Age Gap Analysis, and Neurodegeneration Biomarker Correlation
Brain age prediction from neuroimaging data provides a biomarker of brain health, with brain age gap (BAG = predicted - chronological age) reflecting accelerated or decelerated aging. We present BrainAgeEngine, a pure-Python pipeline for brain age analysis.
2605.02522 NeuroimagingGenomicsEngine: Calcium Imaging dF/F Analysis, Neural Ensemble Decoding, and Population Vector Correlation
Two-photon calcium imaging enables simultaneous recording of hundreds of neurons, revealing population-level neural dynamics and ensemble coding. We present NeuroimagingGenomicsEngine, a pure-Python pipeline for calcium imaging analysis.
2605.02521 GlialSignalingEngine: Astrocyte Calcium Dynamics, Microglia Activation Scoring, and Neuroinflammation Pathway Analysis
Glial cells are active participants in neural circuit function, with astrocytes modulating synaptic transmission through calcium signaling and microglia surveilling the brain parenchyma. We present GlialSignalingEngine, a pure-Python pipeline for glial signaling analysis.
2605.02520 SpatialNeurogenomicsEngine: Grid Cell Spatial Coding, Place Field Mapping, and Hippocampal-Entorhinal Circuit Analysis
Spatial navigation relies on grid cells in the entorhinal cortex and place cells in the hippocampus, forming a cognitive map of the environment. We present SpatialNeurogenomicsEngine, a pure-Python pipeline for spatial neurogenomics analysis.
2605.02519 NeuralCircuitEngine: Hodgkin-Huxley Spiking Simulation, E/I Balance Analysis, and Oscillation Frequency Decomposition
Neural circuit dynamics emerge from the interplay of excitatory and inhibitory neurons, generating oscillations that coordinate information processing across brain regions. We present NeuralCircuitEngine, a pure-Python pipeline for neural circuit simulation and analysis.
2605.02518 AutoimmuneGenomicsEngine: HLA Association Analysis, Polygenic Risk Scoring, and Autoantibody Specificity Mapping
Autoimmune diseases have strong genetic components, with HLA alleles and polygenic risk scores (PRS) explaining substantial heritability. We present AutoimmuneGenomicsEngine, a pure-Python pipeline for autoimmune genomics analysis.
2605.02516 ImmunePhenotypeEngine: CyTOF Mass Cytometry Clustering, Exhaustion Scoring, and Immune Subset Quantification
High-dimensional immune phenotyping by mass cytometry (CyTOF) enables simultaneous measurement of 40+ markers per cell, revealing immune subset composition and functional states. We present ImmunePhenotypeEngine, a pure-Python pipeline for immune phenotyping analysis.
2605.02515 BCRRepertoireEngine: Somatic Hypermutation Analysis, Isotype Switching, and Clonal Lineage Tree Reconstruction
B cell receptor (BCR) repertoire analysis reveals antibody diversity, affinity maturation, and clonal evolution during immune responses. We present BCRRepertoireEngine, a pure-Python pipeline for BCR repertoire analysis.
2605.02514 TCRRepertoireEngine: CDR3 Diversity Analysis, Clonotype Expansion, and Antigen-Specific T Cell Identification
T cell receptor (TCR) repertoire analysis reveals the diversity and clonal structure of adaptive immune responses. We present TCRRepertoireEngine, a pure-Python pipeline for TCR repertoire analysis.
2605.02513 PangenomeEngine: Core/Accessory Genome Partitioning, Heaps' Law Fitting, and Variation Graph Construction
Pan-genome analysis characterizes the full genomic diversity of a species, distinguishing core genes (present in all strains) from accessory genes (variable presence) and unique genes (strain-specific). We present PangenomeEngine, a pure-Python pipeline for pan-genome analysis.
2605.02512 MolecularEvolutionEngine: dN/dS Ratio Analysis, Codon Model Fitting, and Molecular Clock Calibration
Molecular evolution analysis quantifies the rates and patterns of sequence change across species, revealing selection pressures and evolutionary constraints. We present MolecularEvolutionEngine, a pure-Python pipeline for molecular evolution analysis.
2605.02511 AncientDNAEngine: DNA Damage Pattern Modeling, Contamination Estimation, and Archaic Introgression Detection
Ancient DNA (aDNA) analysis enables reconstruction of past human populations, migrations, and admixture events, but requires specialized methods to handle DNA damage and contamination. We present AncientDNAEngine, a pure-Python pipeline for aDNA analysis.
2605.02510 SelectionScanEngine: iHS, XP-EHH, Tajima's D, and CLR Statistics for Genome-Wide Natural Selection Detection
Detecting signatures of natural selection in the human genome reveals adaptations to pathogens, diet, climate, and other environmental pressures. We present SelectionScanEngine, a pure-Python pipeline for selection scan analysis.
2605.02509 PopulationStructureEngine: PCA Genomics, ADMIXTURE Ancestry Estimation, FST Calculation, and Genetic Drift Simulation
Population structure analysis reveals the genetic relationships between human populations, enabling ancestry inference, stratification correction, and demographic history reconstruction. We present PopulationStructureEngine, a pure-Python pipeline for population genetics analysis.
2605.02508 SpatialTranscriptomicsEngine2: Visium Spatial Domain Detection, Moran's I SVG Identification, and Cell Type Deconvolution
Spatial transcriptomics preserves the spatial context of gene expression, enabling mapping of tissue architecture and cell-cell interactions in situ. We present SpatialTranscriptomicsEngine2, a pure-Python pipeline for Visium spatial transcriptomics analysis.
2605.02507 PerturbSeqEngine: CRISPR Perturbation Response Analysis, Gene Program Identification, and Causal Gene Network Inference
Perturb-seq combines CRISPR perturbations with single-cell RNA-seq readout to systematically map gene regulatory relationships at scale. We present PerturbSeqEngine, a pure-Python pipeline for Perturb-seq analysis.
2605.02506 CellCommunicationEngine: CellChat-Style LR Interaction Scoring, Pathway Activity, and Intercellular Signaling Network Analysis
Cell-cell communication through ligand-receptor interactions coordinates tissue homeostasis, immune responses, and development. We present CellCommunicationEngine, a pure-Python pipeline for intercellular communication analysis.
2605.02505 TrajectoryInferenceEngine: Pseudotime Ordering, RNA Velocity, Cell Fate Probability, and Lineage Branch Point Detection
Trajectory inference methods reconstruct developmental and differentiation trajectories from single-cell RNA-seq data. We present TrajectoryInferenceEngine, a pure-Python pipeline for trajectory analysis.