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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.
Determine minimal protein set explaining peptide spectrum matches. Utility functions for creating fasta amino acid databases with decoys and contaminants. Peptide false discovery rate estimation for target decoy search results on psm, precursor, peptide and protein level. Computing dynamic swath window sizes based on MS1 or MS2 signal distributions.
Implementation of the exact, normal approximation, and simulation-based methods for computing the probability mass function (pmf) and cumulative distribution function (cdf) of the Poisson-Multinomial distribution, together with a random number generator for the distribution. The exact method is based on multi-dimensional fast Fourier transformation (FFT) of the characteristic function of the Poisson-Multinomial distribution. The normal approximation method uses a multivariate normal distribution to approximate the pmf of the distribution based on central limit theorem. The simulation method is based on the law of large numbers. Details about the methods are available in Lin, Wang, and Hong (2022) <DOI:10.1007/s00180-022-01299-0>.
Consider a possibly nonlinear nonparametric regression with p regressors. We provide evaluations by 13 methods to rank regressors by their practical significance or importance using various methods, including machine learning tools. Comprehensive methods are as follows. m6=Generalized partial correlation coefficient or GPCC by Vinod (2021)<doi:10.1007/s10614-021-10190-x> and Vinod (2022)<https://www.mdpi.com/1911-8074/15/1/32>. m7= a generalization of psychologists effect size incorporating nonlinearity and many variables. m8= local linear partial (dy/dxi) using the np package for kernel regressions. m9= partial (dy/dxi) using the NNS package. m10= importance measure using the NNS boost function. m11= Shapley Value measure of importance (cooperative game theory). m12 and m13= two versions of the random forest algorithm. Taraldsen's exact density for sampling distribution of correlations added.
This package provides analytic and simulation tools to estimate the minimum sample size required for achieving a target prediction mean-squared error (PMSE) or a specified proportional PMSE reduction (pPMSEr) in linear regression models. Functions implement the criteria of Ma (2023) <https://digital.wpi.edu/downloads/0g354j58c>, support covariance-matrix handling, and include helpers for root-finding and diagnostic plotting.
This package provides a shiny application for visualizing high-dimensional data using non-linear dimensionality reduction (NLDR) techniques such as t-SNE and UMAP. It provides an interactive platform to explore high-dimensional datasets, diagnose the quality of the embeddings using the quollr package, and compare different NLDR methods.
This package provides functions for working with primary event censored distributions and Stan implementations for use in Bayesian modeling. Primary event censored distributions are useful for modeling delayed reporting scenarios in epidemiology and other fields (Charniga et al. (2024) <doi:10.48550/arXiv.2405.08841>). It also provides support for arbitrary delay distributions, a range of common primary distributions, and allows for truncation and secondary event censoring to be accounted for (Park et al. (2024) <doi:10.1101/2024.01.12.24301247>). A subset of common distributions also have analytical solutions implemented, allowing for faster computation. In addition, it provides multiple methods for fitting primary event censored distributions to data via optional dependencies.
Fast and Accurate Randomized Singular Value Decomposition (RSVD) methods proposed in the PCAone paper by Li (2023) <https://genome.cshlp.org/content/33/9/1599>.
ProTracker is a popular music tracker to sequence music on a Commodore Amiga machine. This package offers the opportunity to import, export, manipulate and play ProTracker module files. Even though the file format could be considered archaic, it still remains popular to this date. This package intends to contribute to this popularity and therewith keeping the legacy of ProTracker and the Commodore Amiga alive.
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).
This is a collection of data and functions for common metrics in political science research. Data measuring ideology, and functions calculating geographical diffusion and ideological diffusion - geog.diffuse() and ideo.dist(), respectively. Functions derived from methods developed in: Soule and King (2006) <doi:10.1086/499908>, Berry et al. (1998) <doi:10.2307/2991759>, Cruz-Aceves and Mallinson (2019) <doi:10.1177/0160323X20902818>, and Grossback et al. (2004) <doi:10.1177/1532673X04263801>.
This package provides a comprehensive framework for planning and executing analyses in R. It provides a structured approach to running the same function multiple times with different arguments, executing multiple functions on the same datasets, and creating systematic analyses across multiple strata or variables. The framework is particularly useful for applying the same analysis across multiple strata (e.g., locations, age groups), running statistical methods on multiple variables (e.g., exposures, outcomes), generating multiple tables or graphs for reports, and creating systematic surveillance analyses. Key features include efficient data management, structured analysis planning, flexible execution options, built-in debugging tools, and hash-based caching.
This package provides support for building pkgdown websites without an internet connection. Works by bundling cached dependencies and implementing drop-in replacements for key pkgdown functions. Enables package documentation websites to be built in environments where internet access is unavailable or restricted. For more details on generating pkgdown websites, see Wickham et al. (2025) <doi:10.32614/CRAN.package.pkgdown>.
This package provides a framework of interoperable R6 classes (Chang, 2020, <https://CRAN.R-project.org/package=R6>) for building ensembles of viable models via the pattern-oriented modeling (POM) approach (Grimm et al.,2005, <doi:10.1126/science.1116681>). The package includes classes for encapsulating and generating model parameters, and managing the POM workflow. The workflow includes: model setup; generating model parameters via Latin hyper-cube sampling (Iman & Conover, 1980, <doi:10.1080/03610928008827996>); running multiple sampled model simulations; collating summary results; and validating and selecting an ensemble of models that best match known patterns. By default, model validation and selection utilizes an approximate Bayesian computation (ABC) approach (Beaumont et al., 2002, <doi:10.1093/genetics/162.4.2025>), although alternative user-defined functionality could be employed. The package includes a spatially explicit demographic population model simulation engine, which incorporates default functionality for density dependence, correlated environmental stochasticity, stage-based transitions, and distance-based dispersal. The user may customize the simulator by defining functionality for translocations, harvesting, mortality, and other processes, as well as defining the sequence order for the simulator processes. The framework could also be adapted for use with other model simulators by utilizing its extendable (inheritable) base classes.
Estimates two-level multilevel linear model and two-level multivariate linear multilevel model with weights following Probability Weighted Iterative Generalised Least Squares approach. For details see Veiga et al.(2014) <doi:10.1111/rssc.12020>.
This package provides functions for the construction of Petri Nets. Petri Nets can be replayed by firing enabled transitions. Silent transitions will be hidden by the execution handler. Also includes functionalities for the visualization of Petri Nets and export of Petri Nets to PNML (Petri Net Markup Language) files.
Helper functions for package creation, building and maintenance. Designed to work with a build system such as GNU make or package fakemake to help you to conditionally work through the stages of package development (such as spell checking, linting, testing, before building and checking a package).
This package implements a unified framework of parametric simplex method for a variety of sparse learning problems (e.g., Dantzig selector (for linear regression), sparse quantile regression, sparse support vector machines, and compressive sensing) combined with efficient hyper-parameter selection strategies. The core algorithm is implemented in C++ with Eigen3 support for portable high performance linear algebra. For more details about parametric simplex method, see Haotian Pang (2017) <https://papers.nips.cc/paper/6623-parametric-simplex-method-for-sparse-learning.pdf>.
This package provides some easy-to-use functions for spatial analyses of (plant-) phenological data sets and satellite observations of vegetation.
Following the method of Bailey et al., computes for a collection of candidate models the probability of backtest overfitting, the performance degradation and probability of loss, and the stochastic dominance.
Generalized Least Squares (GLS) estimation of Seemingly Unrelated Regression (SUR) systems on unbalanced panel in the one/two-way cases also taking into account the possibility of cross equation restrictions. Methodological details can be found in Biørn (2004) <doi:10.1016/j.jeconom.2003.10.023> and Platoni, Sckokai, Moro (2012) <doi:10.1080/07474938.2011.607098>.
Eco-phylogenetic and community phylogenetic analyses. Keeps community ecological and phylogenetic data matched up and comparable using comparative.comm objects. Wrappers for common community phylogenetic indices ('pez.shape', pez.evenness', pez.dispersion', and pez.dissimilarity metrics). Implementation of Cavender-Bares (2004) correlation of phylogenetic and ecological matrices ('fingerprint.regression'). Phylogenetic Generalised Linear Mixed Models (PGLMMs; pglmm') following Ives & Helmus (2011) and Rafferty & Ives (2013). Simulation of null assemblages, traits, and phylogenies ('scape', sim.meta.comm').
The Prais-Winsten estimator (Prais & Winsten, 1954) takes into account AR(1) serial correlation of the errors in a linear regression model. The procedure recursively estimates the coefficients and the error autocorrelation of the specified model until sufficient convergence of the AR(1) coefficient is attained.
This package provides a shiny app that supports merging of PDF and/or image files with page selection, removal, or rotation options. It is a fast, free, and secure alternative to commercial software or various online websites which require users to sign-up, and it avoids any potential risks associated with uploading files elsewhere.