This toolkit is designed for manipulation and analysis of peptides. It provides functionalities to assist researchers in peptide engineering and proteomics. Users can manipulate peptides by adding amino acids at every position, count occurrences of each amino acid at each position, and transform amino acid counts based on probabilities. The package offers functionalities to select the best versus the worst peptides and analyze these peptides, which includes counting specific residues, reducing peptide sequences, extracting features through One Hot Encoding (OHE), and utilizing Quantitative Structure-Activity Relationship (QSAR) properties (based in the package Peptides by Osorio et al. (2015) <doi:10.32614/RJ-2015-001>). This package is intended for both researchers and bioinformatics enthusiasts working on peptide-based projects, especially for their use with machine learning.

Several functions introduced in Aster et al.'s book on inverse theory. The functions are often translations of MATLAB code developed by the authors to illustrate concepts of inverse theory as applied to geophysics. Generalized inversion, tomographic inversion algorithms (conjugate gradients, ART and SIRT'), non-linear least squares, first and second order Tikhonov regularization, roughness constraints, and procedures for estimating smoothing parameters are included.

This package provides a set of palettes imported from Gimp distributed under GPL3 (<https://www.gimp.org/about/COPYING>), and Inkscape distributed under GPL2 (<https://inkscape.org/about/license/>).

Create PX-files from scratch or read and modify existing ones. Includes a function for every PX keyword, making metadata manipulation simple and human-readable.

This package implements a set of methodological tools that enable researchers to apply matching methods to time-series cross-sectional data. Imai, Kim, and Wang (2023) <http://web.mit.edu/insong/www/pdf/tscs.pdf> proposes a nonparametric generalization of the difference-in-differences estimator, which does not rely on the linearity assumption as often done in practice. Researchers first select a method of matching each treated observation for a given unit in a particular time period with control observations from other units in the same time period that have a similar treatment and covariate history. These methods include standard matching methods based on propensity score and Mahalanobis distance, as well as weighting methods. Once matching and refinement is done, treatment effects can be estimated with standard errors. The package also offers diagnostics for researchers to assess the quality of their results.

Latent class analysis and latent class regression models for polytomous outcome variables. Also known as latent structure analysis.

This package provides functions to aid the identification of probable/possible duplicates in Plant Genetic Resources (PGR) collections using passport databases comprising of information records of each constituent sample. These include methods for cleaning the data, creation of a searchable Key Word in Context (KWIC) index of keywords associated with sample records and the identification of nearly identical records with similar information by fuzzy, phonetic and semantic matching of keywords.

Validation of risk predictions obtained from survival models and competing risk models based on censored data using inverse weighting and cross-validation. Most of the pec functionality has been moved to riskRegression'.

An implementation of the one-step privacy-protecting method for estimating the overall and site-specific hazard ratios using inverse probability weighted Cox models in distributed data network studies, as proposed by Shu, Yoshida, Fireman, and Toh (2019) <doi: 10.1177/0962280219869742>. This method only requires sharing of summary-level riskset tables instead of individual-level data. Both the conventional inverse probability weights and the stabilized weights are implemented.

Utilities for multiple hypothesis testing, companion datasets from "Probability and Statistics for Economics and Business: An Introduction Using R" by Jason Abrevaya (MIT Press, under contract).

Estimate best fit distributions and do power analysis for hypothesis tests on phosphopeptide abundance data.

This package provides a framework for creating interactive figures for data exploration. All plots are automatically linked and support several kinds of interactive features, including selection, zooming, panning, and parameter manipulation. The figures can be interacted with either manually, using a mouse and a keyboard, or by running code from inside an active R session.

Fits right-truncated meta-analysis (RTMA), a bias correction for the joint effects of p-hacking (i.e., manipulation of results within studies to obtain significant, positive estimates) and traditional publication bias (i.e., the selective publication of studies with significant, positive results) in meta-analyses [see Mathur MB (2022). "Sensitivity analysis for p-hacking in meta-analyses." <doi:10.31219/osf.io/ezjsx>.]. Unlike publication bias alone, p-hacking that favors significant, positive results (termed "affirmative") can distort the distribution of affirmative results. To bias-correct results from affirmative studies would require strong assumptions on the exact nature of p-hacking. In contrast, joint p-hacking and publication bias do not distort the distribution of published nonaffirmative results when there is stringent p-hacking (e.g., investigators who hack always eventually obtain an affirmative result) or when there is stringent publication bias (e.g., nonaffirmative results from hacked studies are never published). This means that any published nonaffirmative results are from unhacked studies. Under these assumptions, RTMA involves analyzing only the published nonaffirmative results to essentially impute the full underlying distribution of all results prior to selection due to p-hacking and/or publication bias. The package also provides diagnostic plots described in Mathur (2022).

Measure productivity and efficiency using Data Envelopment Analysis (DEA). Available methods include DEA under different technology assumptions, bootstrapping of efficiency scores and calculation of the Malmquist productivity index. Analyses can be performed either in the console or with the provided shiny app. See Banker, R.; Charnes, A.; Cooper, W.W. (1984) <doi:10.1287/mnsc.30.9.1078>, Färe, R.; Grosskopf, S. (1996) <doi:10.1007/978-94-009-1816-0>.

Model-implied simulation-based power estimation (MSPE) for nonlinear (and linear) SEM, path analysis and regression analysis. A theoretical framework is used to approximate the relation between power and sample size for given type I error rates and effect sizes. The package offers an adaptive search algorithm to find the optimal N for given effect sizes and type I error rates. Plots can be used to visualize the power relation to N for different parameters of interest (POI). Theoretical justifications are given in Irmer et al. (2024a) <doi:10.31219/osf.io/pe5bj> and detailed description are given in Irmer et al. (2024b) <doi:10.3758/s13428-024-02476-3>.

An environment to simulate the development of annual plant populations with regard to population dynamics and genetics, especially herbicide resistance. It combines genetics on the individual level (Renton et al. 2011) with a stochastic development on the population level (Daedlow, 2015). Renton, M, Diggle, A, Manalil, S and Powles, S (2011) <doi:10.1016/j.jtbi.2011.05.010> Daedlow, Daniel (2015, doctoral dissertation: University of Rostock, Faculty of Agriculture and Environmental Sciences.).

There are three sets of functions. The first produces basic properties of a graph and generates samples from multinomial distributions to facilitate the simulation functions (they maybe used for other purposes as well). The second provides various simulation functions for a Potts model in Potts, R. B. (1952) <doi:10.1017/S0305004100027419>. The third currently includes only one function which computes the normalizing constant of a Potts model based on simulation results.

This package provides a suite of diagnostic tools for univariate point processes. This includes tools for simulating and fitting both common and more complex temporal point processes. We also include functions to visualise these point processes and collect existing diagnostic tools of Brown et al. (2002) <doi:10.1162/08997660252741149> and Wu et al. (2021) <doi:10.1002/9781119821588.ch7>, which can be used to assess the fit of a chosen point process model.

Simple method of purging independent variables of mediating effects. First, regress the direct variable on the indirect variable. Then, used the stored residuals as the new purged (direct) variable in the updated specification. This purging process allows for use of a new direct variable uncorrelated with the indirect variable. Please cite the method and/or package using Waggoner, Philip D. (2018) <doi:10.1177/1532673X18759644>.

Fast and memory-less computation of the partial distance correlation for vectors and matrices. Permutation-based and asymptotic hypothesis testing for zero partial distance correlation are also performed. References include: Szekely G. J. and Rizzo M. L. (2014). "Partial distance correlation with methods for dissimilarities". The Annals Statistics, 42(6): 2382--2412. <doi:10.1214/14-AOS1255>. Shen C., Panda S. and Vogelstein J. T. (2022). "The Chi-Square Test of Distance Correlation". Journal of Computational and Graphical Statistics, 31(1): 254--262. <doi:10.1080/10618600.2021.1938585>. Szekely G. J. and Rizzo M. L. (2023). "The Energy of Data and Distance Correlation". Chapman and Hall/CRC. <ISBN:9781482242744>. Kontemeniotis N., Vargiakakis R. and Tsagris M. (2025). On independence testing using the (partial) distance correlation. <doi:10.48550/arXiv.2506.15659>.

The plsdof package provides Degrees of Freedom estimates for Partial Least Squares (PLS) Regression. Model selection for PLS is based on various information criteria (aic, bic, gmdl) or on cross-validation. Estimates for the mean and covariance of the PLS regression coefficients are available. They allow the construction of approximate confidence intervals and the application of test procedures (Kramer and Sugiyama 2012 <doi:10.1198/jasa.2011.tm10107>). Further, cross-validation procedures for Ridge Regression and Principal Components Regression are available.

Creates, fits and samples Pair-Copula Bayesian networks (PCBN) under some restrictions on the underlying Directed Acyclic Graph (DAG), that is, no active cycles nor interfering v-structures, following Derumigny, Horsman and Kurowicka (2025) <doi:10.48550/arXiv.2510.03518>.

Pool dilution is a isotope tracer technique wherein a biogeochemical pool is artifically enriched with its heavy isotopologue and the gross productive and consumptive fluxes of that pool are quantified by the change in pool size and isotopic composition over time. This package calculates gross production and consumption rates from closed-system isotopic pool dilution time series data. Pool size concentrations and heavy isotope (e.g., 15N) content are measured over time and the model optimizes production rate (P) and the first order rate constant (k) by minimizing error in the model-predicted total pool size, as well as the isotopic signature. The model optimizes rates by weighting information against the signal:noise ratio of concentration and heavy- isotope signatures using measurement precision as well as the magnitude of change over time. The calculations used here are based on von Fischer and Hedin (2002) <doi:10.1029/2001GB001448> with some modifications.

This package provides functions are primarily functions for systems of ordinary differential equations, difference equations, and eigenanalysis and projection of demographic matrices; data are for examples.