Self-Consistent Field(SCF) calculation method is one of the most important steps in the calculation methods of quantum chemistry. Ehrenreich, H., & Cohen, M. H. (1959). <doi:10.1103/PhysRev.115.786> However, the most prevailing software in this area, Gaussian''s SCF convergence process is hard to monitor, especially while the job is still running, causing researchers difficulty in knowing whether the oscillation has started or not, wasting time and energy on useless configurations or abandoning the jobs that can actually work. M.J. Frisch, G.W. Trucks, H.B. Schlegel et al. (2016). <https://gaussian.com> SCFMonitor enables Gaussian quantum chemistry calculation software users to easily read the Gaussian .log files and monitor the SCF convergence and geometry optimization process with little effort and clear, beautiful, and clean outputs. It can generate graphs using tidyverse to let users check SCF convergence and geometry optimization processes in real-time. The software supports processing .log files remotely using with rbase::url(). This software is a suitcase for saving time and energy for the researchers, supporting multiple versions of Gaussian'.

Toolbox for different kinds of spatio-temporal analyses to be performed on observed point patterns, following the growing stream of literature on point process theory. This R package implements functions to perform different kinds of analyses on point processes, proposed in the papers (Siino, Adelfio, and Mateu 2018<doi:10.1007/s00477-018-1579-0>; Siino et al. 2018<doi:10.1002/env.2463>; Adelfio et al. 2020<doi:10.1007/s00477-019-01748-1>; Dâ Angelo, Adelfio, and Mateu 2021<doi:10.1016/j.spasta.2021.100534>; Dâ Angelo, Adelfio, and Mateu 2022<doi:10.1007/s00362-022-01338-4>; Dâ Angelo, Adelfio, and Mateu 2023<doi:10.1016/j.csda.2022.107679>). The main topics include modeling, statistical inference, and simulation issues on spatio-temporal point processes on Euclidean space and linear networks. Version 1.0.0 has been updated for accompanying the journal publication D Angelo and Adelfio 2025 <doi:10.18637/jss.v113.i10>.

Sparse arrays interpreted as multivariate polynomials. Uses disordR discipline (Hankin, 2022, <doi:10.48550/ARXIV.2210.03856>). To cite the package in publications please use Hankin (2022) <doi:10.48550/ARXIV.2210.10848>.

This package provides a collection of sample datasets on various fields such as automotive performance and safety data to historical demographics and socioeconomic indicators, as well as recreational data. It serves as a resource for researchers and analysts seeking to perform analyses and derive insights from classic data sets in R.

This package provides a consistently well behaved method of interpolation based on piecewise rational functions using Stineman's algorithm.

This package provides a simple tool for numerical optimization on the unit sphere. This is achieved by combining the spherical coordinating system with L-BFGS-B optimization. This algorithm is implemented in Kolkiewicz, A., Rice, G., & Xie, Y. (2020) <doi:10.1016/j.jspi.2020.07.001>.

This package contains the function CUUimpute() which performs model-based clustering and imputation simultaneously.

Designed for estimating variants of hidden (latent) Markov models (HMMs), mixture HMMs, and non-homogeneous HMMs (NHMMs) for social sequence data and other categorical time series. Special cases include feedback-augmented NHMMs, Markov models without latent layer, mixture Markov models, and latent class models. The package supports models for one or multiple subjects with one or multiple parallel sequences (channels). External covariates can be added to explain cluster membership in mixture models as well as initial, transition and emission probabilities in NHMMs. The package provides functions for evaluating and comparing models, as well as functions for visualizing of multichannel sequence data and HMMs. For NHMMs, methods for computing average causal effects and marginal state and emission probabilities are available. Models are estimated using maximum likelihood via the EM algorithm or direct numerical maximization with analytical gradients. Documentation is available via several vignettes, and Helske and Helske (2019, <doi:10.18637/jss.v088.i03>). For methodology behind the NHMMs, see Helske (2025, <doi:10.48550/arXiv.2503.16014>).

Various functions for creating spherical coordinate system plots via extensions to rgl.

Easy to use interfaces to a number of imputation methods that fit in the not-a-pipe operator of the magrittr package.

This package provides a system that provides a streamlined way of generating publication ready plots for known Single-Cell transcriptomics data in a â publication readyâ format. This is, the goal is to automatically generate plots with the highest quality possible, that can be used right away or with minimal modifications for a research article.

Cleans and formats language transcripts guided by a series of transformation options (e.g., lemmatize words, omit stopwords, split strings across rows). SemanticDistance computes two distinct metrics of cosine semantic distance (experiential and embedding). These values reflect pairwise cosine distance between different elements or chunks of a language sample. SemanticDistance can process monologues (e.g., stories, ordered text), dialogues (e.g., conversation transcripts), word pairs arrayed in columns, and unordered word lists. Users specify options for how they wish to chunk distance calculations. These options include: rolling ngram-to-word distance (window of n-words to each new word), ngram-to-ngram distance (2-word chunk to the next 2-word chunk), pairwise distance between words arrayed in columns, matrix comparisons (i.e., all possible pairwise distances between words in an unordered list), turn-by-turn distance (talker to talker in a dialogue transcript). SemanticDistance includes visualization options for analyzing distances as time series data and simple semantic network dynamics (e.g., clustering, undirected graph network).

This package provides functions for performing set-theoretic multi-method research, QCA for clustered data, theory evaluation, Enhanced Standard Analysis, indirect calibration, radar visualisations. Additionally it includes data to replicate the examples in the books by Oana, I.E, C. Q. Schneider, and E. Thomann. Qualitative Comparative Analysis (QCA) using R: A Beginner's Guide. Cambridge University Press and C. Q. Schneider and C. Wagemann "Set Theoretic Methods for the Social Sciences", Cambridge University Press.

This package implements the smooth LASSO estimator for the function-on-function linear regression model described in Centofanti et al. (2022) <doi:10.1016/j.csda.2022.107556>.

This package provides deep learning models for right-censored survival data using the torch backend. Supports multiple loss functions, including Cox partial likelihood, L2-penalized Cox, time-dependent Cox, and accelerated failure time (AFT) loss. Offers a formula-based interface, built-in support for cross-validation, hyperparameter tuning, survival curve plotting, and evaluation metrics such as the C-index, Brier score, and integrated Brier score. For methodological details, see Kvamme et al. (2019) <https://www.jmlr.org/papers/v20/18-424.html>.

This package provides tools which allow regression variables to be placed on similar scales, offering computational benefits as well as easing interpretation of regression output.

This package provides a step-down procedure for controlling the False Discovery Proportion (FDP) in a competition-based setup, implementing Dong et al. (2020) <arXiv:2011.11939>. Such setups include target-decoy competition (TDC) in computational mass spectrometry and the knockoff construction in linear regression.

Download data from StatsWales into R. Removes the need for the user to write their own loops when parsing data from the StatsWales API. Provides functions for datasets (<http://open.statswales.gov.wales/en-gb/dataset>) and metadata (<http://open.statswales.gov.wales/en-gb/discover/metadata>) endpoints.

This package provides SAS'-style IF/ELSE chains, independent IF rules, and DELETE logic for data.table', enabling clinical programmers to express Study Data Tabulation Model (SDTM) and Analysis Data Model (ADaM)-style derivations in familiar SAS-like syntax. Methods are informed by clinical data standards described in CDISC SDTM and ADaM implementation guides. See <https://www.cdisc.org/standards/foundational/sdtm> and <https://www.cdisc.org/standards/foundational/adam>.

Testing of soil for the contents of organic carbon, and available macro- and micro-nutrients is a crucial part of soil fertility assessment. This package computes some routinely tested soil properties viz. organic carbon (C), total nitrogen (N), available N, mineral N, available phosphorus (P), available potassium (K), available iron (Fe), available zinc (Zn), available manganese (Mn), available copper (Cu), and available nickel (Ni) in soil based on laboratory analysis data obtained by most commonly followed protocols. Besides, it can also draw standard curves based on absorption/emission vs. concentration data, and give out unknown concentrations from absorption/emission readings.

This package provides a comprehensive framework for quantifying the fundamental thermodynamic parameters of adsorption reactionsâ changes in the standard Gibbs free energy (delta G), enthalpy (delta H), and entropy (delta S)â is essential for understanding the spontaneity, heat effects, and molecular ordering associated with sorption processes. By analysing temperature-dependent equilibrium data, thermodynamic interpretation expands adsorption studies beyond conventional isotherm fitting, offering deeper insight into underlying mechanisms and surfaceâ solute interactions. Such an approach typically involves evaluating equilibrium coefficients across multiple temperatures and non-temperature treatments, deriving thermodynamic parameters using established thermodynamic relationships, and determining delta G as a temperature-specific indicator of adsorption favourability. This analytical pathway is widely applicable across environmental science, soil science, chemistry, materials science, and engineering, where reliable assessment of sorption behaviour is critical for examining contaminant retention, nutrient dynamics, and the behaviour of natural and engineered surfaces. By focusing specifically on thermodynamic inference, this framework complements existing adsorption isotherm-fitting packages such as âAdIsMFâ <https://CRAN.R-project.org/package=AdIsMF> <doi:10.32614/CRAN.package.AdIsMF>, and strengthens the scientific basis for interpreting adsorption energetics in both research and applied contexts. Details can be found in Roy et al. (2025) <doi:10.1007/s11270-025-07963-7>.

This package implements a set of distribution modeling methods that are suited to species with small sample sizes (e.g., poorly sampled species or rare species). While these methods can also be used on well-sampled taxa, they are united by the fact that they can be utilized with relatively few data points. More details on the currently implemented methodologies can be found in Drake and Richards (2018) <doi:10.1002/ecs2.2373>, Drake (2015) <doi:10.1098/rsif.2015.0086>, and Drake (2014) <doi:10.1890/ES13-00202.1>.

Dual interfaces, graphical and programmatic, designed for intuitive applications of Multilevel Regression and Poststratification (MRP). Users can apply the method to a variety of datasets, from electronic health records to sample survey data, through an end-to-end Bayesian data analysis workflow. The package provides robust tools for data cleaning, exploratory analysis, flexible model building, and insightful result visualization. For more details, see Si et al. (2020) <https://www150.statcan.gc.ca/n1/en/pub/12-001-x/2020002/article/00003-eng.pdf?st=iF1_Fbrh> and Si (2025) <doi:10.1214/24-STS932>.

This package provides a pipeline-friendly toolkit for assembling stop motion animations from sequences of still images. Provides functions to read image directories, restructure frame sequences (duplicate, splice, arrange), apply per-frame pixel transformations (rotate, wiggle, flip, flop, blur, scale, crop, trim, border, background), and export the result as a GIF. All transformation functions accept a frames argument to target any subset of frames, bridging the gap between magick functions that operate on an entire image stack and fine-grained stop motion editing. Image processing is performed via ImageMagick Studio LLC (2024) <https://imagemagick.org>.