Reaction rate dynamics can be retrieved from metabolite concentration time courses. User has to provide corresponding stoichiometric matrix but not a regulation model (Michaelis-Menten or similar). Instead of solving an ordinary differential equation (ODE) system describing the evolution of concentrations, we use B-splines to catch the concentration and rate dynamics then solve a least square problem on their coefficients with non-negativity (and optionally monotonicity) constraints. Constraints can be also set on initial values of concentration. The package dynafluxr can be used as a library but also as an application with command line interface dynafluxr::cli("-h") or graphical user interface dynafluxr::gui().

DNA methylation (6mA) is a major epigenetic process by which alteration in gene expression took place without changing the DNA sequence. Predicting these sites in-vitro is laborious, time consuming as well as costly. This EpiSemble package is an in-silico pipeline for predicting DNA sequences containing the 6mA sites. It uses an ensemble-based machine learning approach by combining Support Vector Machine (SVM), Random Forest (RF) and Gradient Boosting approach to predict the sequences with 6mA sites in it. This package has been developed by using the concept of Chen et al. (2019) <doi:10.1093/bioinformatics/btz015>.

Interactive labelling of scatter plots, volcano plots and Manhattan plots using a shiny and plotly interface. Users can hover over points to see where specific points are located and click points on/off to easily label them. Labels can be dragged around the plot to place them optimally. Plots can be exported directly to PDF for publication. For plots with large numbers of points, points can optionally be rasterized as a bitmap, while all other elements (axes, text, labels & lines) are preserved as vector objects. This can dramatically reduce file size for plots with millions of points such as Manhattan plots, and is ideal for publication.

This package provides a collection of fast k-means clustering algorithms under a single, uniform interface. The core method is Geometric-k-means, a bound-free algorithm of Sharma et al. (2026) <doi:10.1007/s10994-025-06891-1> that uses geometry to restrict computation to the data points able to change clusters, substantially reducing distance computations and runtime while returning the same result as standard k-means. Also included are Lloyd's algorithm, Elkan, Hamerly, Annulus, Exponion, and Ball k-means. All algorithms are implemented in C++ via Rcpp and RcppEigen and return the final centroids, optional per-point cluster assignments, and computational statistics.

This package implements interpretable multi-biomarker fusion in joint longitudinal-survival models via semi-parametric association surfaces. Provides a two-stage estimation framework where Stage 1 fits mixed-effects longitudinal models and extracts Best Linear Unbiased Predictors ('BLUP's), and Stage 2 fits transition-specific penalized Cox models with tensor-product spline surfaces linking latent biomarker summaries to transition hazards. Supports multi-state disease processes with transition-specific surfaces, Restricted Maximum Likelihood ('REML') smoothing parameter selection, effective degrees of freedom ('EDF') diagnostics, dynamic prediction of transition probabilities, and three interpretability visualizations (surface plots, contour heatmaps, marginal effect slices). Methods are described in Bhattacharjee (2025, under review).

Bayesian model averaging (BMA) algorithms for univariate link latent Gaussian models (ULLGMs). For detailed information, refer to Steel M.F.J. & Zens G. (2024) "Model Uncertainty in Latent Gaussian Models with Univariate Link Function" <doi:10.48550/arXiv.2406.17318>. The package supports various g-priors and a beta-binomial prior on the model space. It also includes auxiliary functions for visualizing and tabulating BMA results. Currently, it offers an out-of-the-box solution for model averaging of Poisson log-normal (PLN) and binomial logistic-normal (BiL) models. The codebase is designed to be easily extendable to other likelihoods, priors, and link functions.

Analysis of dichotomous, ordinal, and continuous response data using latent space item response model ('LSIRM'). Provides 1PL and 2PL LSIRM for binary response data as described in Jeon et al. (2021) <doi:10.1007/s11336-021-09762-5>, graded response models ('GRM') for ordinal data (De Carolis et al., 2025, <doi:10.1080/00273171.2025.2605678>), and extensions for continuous response data. Supports Bayesian model selection with spike-and-slab priors, adaptive MCMC algorithms, and methods for handling missing data under missing at random ('MAR') and missing completely at random ('MCAR') assumptions. Provides various diagnostic plots to inspect the latent space and summaries of estimated parameters.

Cooperative learning combines the usual squared error loss of predictions with an agreement penalty to encourage the predictions from different data views to agree. By varying the weight of the agreement penalty, we get a continuum of solutions that include the well-known early and late fusion approaches. Cooperative learning chooses the degree of agreement (or fusion) in an adaptive manner, using a validation set or cross-validation to estimate test set prediction error. In the setting of cooperative regularized linear regression, the method combines the lasso penalty with the agreement penalty (Ding, D., Li, S., Narasimhan, B., Tibshirani, R. (2021) <doi:10.1073/pnas.2202113119>).

Quantitative RT-PCR data are analyzed using generalized linear mixed models based on lognormal-Poisson error distribution, fitted using MCMC. Control genes are not required but can be incorporated as Bayesian priors or, when template abundances correlate with conditions, as trackers of global effects (common to all genes). The package also implements a lognormal model for higher-abundance data and a "classic" model involving multi-gene normalization on a by-sample basis. Several plotting functions are included to extract and visualize results. The detailed tutorial is available here: <https://matzlab.weebly.com/uploads/7/6/2/2/76229469/mcmc.qpcr.tutorial.v1.2.4.pdf>.

Estimate specification models for the state-dependent level of an optimal quantile/expectile forecast. Wald Tests and the test of overidentifying restrictions are implemented. Plotting of the estimated specification model is possible. The package contains two data sets with forecasts and realizations: the daily accumulated precipitation at London, UK from the high-resolution model of the European Centre for Medium-Range Weather Forecasts (ECMWF, <https://www.ecmwf.int/>) and GDP growth Greenbook data by the US Federal Reserve. See Schmidt, Katzfuss and Gneiting (2015) <doi:10.48550/arXiv.1506.01917> for more details on the identification and estimation of a directive behind a point forecast.

Hail is an open-source, general-purpose, python based data analysis tool with additional data types and methods for working with genomic data, see <https://hail.is/>. Hail is built to scale and has first-class support for multi-dimensional structured data, like the genomic data in a genome-wide association study (GWAS). Hail is exposed as a python library, using primitives for distributed queries and linear algebra implemented in scala', spark', and increasingly C++'. The sparkhail is an R extension using sparklyr package. The idea is to help R users to use hail functionalities with the well-know tidyverse syntax, see <https://www.tidyverse.org/>.

This package provides a set of functions devoted to multivariate exploratory statistics on textual data. Classical methods such as correspondence analysis and agglomerative hierarchical clustering are available. Chronologically constrained agglomerative hierarchical clustering enriched with labelled-by-words trees is offered. Given a division of the corpus into parts, their characteristic words and documents are identified. Further, accessing to FactoMineR functions is very easy. Two of them are relevant in textual domain. MFA() addresses multiple lexical table allowing applications such as dealing with multilingual corpora as well as simultaneously analyzing both open-ended and closed questions in surveys. See <http://xplortext.unileon.es> for examples.

This package implements the GADGET (Generalized Additive Decomposition of Global EffecTs) algorithm for interpretable machine learning. The package recursively partitions the feature space to minimize heterogeneity of feature effects (e.g., Accumulated Local Effects or Partial Dependence), producing a tree of regions where effects are more stable. It supports both ALE and PD strategies, works with mlr3 learners and provides visualization of the interaction tree and regional effect plots. The method is described in Herbinger, J., Wright, M. N., Nagler, T., Bischl, B., and Casalicchio, G. (2024), "Decomposing Global Feature Effects Based on Feature Interactions" <https://jmlr.org/papers/volume25/23-0699/23-0699.pdf>.

Mass-spectrometry based UPS proteomics data sets from Ramus C, Hovasse A, Marcellin M, Hesse AM, Mouton-Barbosa E, Bouyssie D, Vaca S, Carapito C, Chaoui K, Bruley C, Garin J, Cianferani S, Ferro M, Dorssaeler AV, Burlet-Schiltz O, Schaeffer C, Coute Y, Gonzalez de Peredo A. Spiked proteomic standard dataset for testing label-free quantitative software and statistical methods. Data Brief. 2015 Dec 17;6:286-94 and Giai Gianetto, Q., Combes, F., Ramus, C., Bruley, C., Coute, Y., Burger, T. (2016). Calibration plot for proteomics: A graphical tool to visually check the assumptions underlying FDR control in quantitative experiments. Proteomics, 16(1), 29-32.

This package is designed for the import, quality control, analysis, and visualization of methylation data generated using Sequenom's MassArray platform. The tools herein contain a highly detailed amplicon prediction for optimal assay design. Also included are quality control measures of data, such as primer dimer and bisulfite conversion efficiency estimation. Methylation data are calculated using the same algorithms contained in the EpiTyper software package. Additionally, automatic SNP-detection can be used to flag potentially confounded data from specific CG sites. Visualization includes barplots of methylation data as well as UCSC Genome Browser-compatible BED tracks. Multiple assays can be positionally combined for integrated analysis.

DEPRECATED. Do not start building new projects based on this package. (The (in-house) APD file format was initially developed to store Affymetrix probe-level data, e.g. normalized CEL intensities. Chip types can be added to APD file and similar to methods in the affxparser package, this package provides methods to read APDs organized by units (probesets). In addition, the probe elements can be arranged optimally such that the elements are guaranteed to be read in order when, for instance, data is read unit by unit. This speeds up the read substantially. This package is supporting the Aroma framework and should not be used elsewhere.).

This package performs adjustments of a user-supplied independence loglikelihood function using a robust sandwich estimator of the parameter covariance matrix, based on the methodology in Chandler and Bate (2007) <doi:10.1093/biomet/asm015>. This can be used for cluster correlated data when interest lies in the parameters of the marginal distributions or for performing inferences that are robust to certain types of model misspecification. Functions for profiling the adjusted loglikelihoods are also provided, as are functions for calculating and plotting confidence intervals, for single model parameters, and confidence regions, for pairs of model parameters. Nested models can be compared using an adjusted likelihood ratio test.

The Markowitz criterion is a multicriteria decision-making method that stands out in risk and uncertainty analysis in contexts where probabilities are known. This approach represents an evolution of Pascal's criterion by incorporating the dimension of variability. In this framework, the expected value reflects the anticipated return, while the standard deviation serves as a measure of risk. The markowitz package provides a practical and accessible tool for implementing this method, enabling researchers and professionals to perform analyses without complex calculations. Thus, the package facilitates the application of the Markowitz criterion. More details on the method can be found in Octave Jokung-Nguéna (2001, ISBN 2100055372).

This package provides a versatile R visualization package that empowers researchers with comprehensive visualization tools for seamlessly mapping peptides to protein sequences, identifying distinct domains and regions of interest, accentuating mutations, and highlighting post-translational modifications, all while enabling comparisons across diverse experimental conditions. Potential applications of PepMapViz include the visualization of cross-software mass spectrometry results at the peptide level for specific protein and domain details in a linearized format and post-translational modification coverage across different experimental conditions; unraveling insights into disease mechanisms. It also enables visualization of Major histocompatibility complex-presented peptide clusters in different antibody regions predicting immunogenicity in antibody drug development.

Procedures for testing for group-wide signal in clusters of variables. Tests can be performed for single groups in isolation (univariate) or multiple groups together (multivariate). Specific tests include the exact and approximate (un)selective likelihood ratio tests described in Reid et al (2015), the selective F test and marginal screening prototype test of Reid and Tibshirani (2015). User may pre-specify columns to be included in prototype formation, or allow the function to select them itself. A mixture of these two is also possible. Any variable selection is accounted for using the selective inference framework. Options for non-sampling and hit-and-run null reference distributions.

Identify and understand clusters of points (typically representing the locations of places or events) stored in simple-features (SF) objects. This is useful for analysing, for example, hot-spots of crime events. The package emphasises producing results from point SF data in a single step using reasonable default values for all other arguments, to aid rapid data analysis by users who are starting out. Functions available include kernel density estimation (for details, see Yip (2020) <doi:10.22224/gistbok/2020.1.12>), analysis of spatial association (Getis and Ord (1992) <doi:10.1111/j.1538-4632.1992.tb00261.x>) and hot-spot classification (Chainey (2020) ISBN:158948584X).

Selection index is one of the efficient and acurrate method for selection of animals. This package is useful for construction of selection indices. It uses mixed and random model least squares analysis to estimate the heritability of traits and genetic correlation between traits. The package uses the sire model as it is considered as random effect. The genetic and phenotypic (co)variances along with the relative economic values are used to construct the selection index for any number of traits. It also estimates the accuracy of the index and the genetic gain expected for different traits. Fisher (1936) <doi:10.1111/j.1469-1809.1936.tb02137.x>.

The synchrosqueezed wavelet transform is implemented. The package is a translation of MATLAB Synchrosqueezing Toolbox, version 1.1 originally developed by Eugene Brevdo (2012). The C code for curve_ext was authored by Jianfeng Lu, and translated to Fortran by Dongik Jang. Synchrosqueezing is based on the papers: [1] Daubechies, I., Lu, J. and Wu, H. T. (2011) Synchrosqueezed wavelet transforms: An empirical mode decomposition-like tool. Applied and Computational Harmonic Analysis, 30. 243-261. [2] Thakur, G., Brevdo, E., Fukar, N. S. and Wu, H-T. (2013) The Synchrosqueezing algorithm for time-varying spectral analysis: Robustness properties and new paleoclimate applications. Signal Processing, 93, 1079-1094.

This package provides a modern C++17/ reimplementation of the UCMINF/ algorithm for unconstrained nonlinear optimization (Nielsen and Mortensen, 2011, <doi:10.32614/CRAN.package.ucminf>), offering full API compatibility with the original ucminf R package but developed independently. The optimizer core has been rewritten in C with a modern header-only C++17 interface, zero-allocation line search, and an Rcpp interface. The goal is numerical equivalence with improved performance, reproducibility, and extensibility. Includes extensive test coverage, performance regression tests, and compatibility checks against ucminf'. This package is not affiliated with the original maintainers but acknowledges their authorship of the algorithm and the original R interface.