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"LipidTrend" is an R package that implements a permutation-based statistical test to identify significant differences in lipidomic features between groups. The test incorporates Gaussian kernel smoothing of region statistics to improve stability and accuracy, particularly when dealing with small sample sizes. This package also includes two plotting functions for visualizing significant tendencies in 1D and 2D feature data, respectively.

fast BAM/CRAM depth calculation for WGS, exome, or targeted sequencing.

Single-cell analysis with transformers

HiContacts provides a collection of tools to analyse and visualize Hi-C datasets imported in R by HiCExperiment.

R generic interface to Hi-C contact matrices in `.(m)cool`, `.hic` or HiC-Pro derived formats, as well as other Hi-C processed file formats. Contact matrices can be partially parsed using a random access method, allowing a memory-efficient representation of Hi-C data in R. The `HiCExperiment` class stores the Hi-C contacts parsed from local contact matrix files. `HiCExperiment` instances can be further investigated in R using the `HiContacts` analysis package.

dominatR is an R package for quantifying and visualizing feature dominance in datasets. dominatR applies concepts drawn from physics such as center of mass and shannon's entropy to effectively visualize features (e.g. genes) that are present within a specific context or condition. The package integrates, dataframes, matrices and SummerizedExperiment objects and is able to perform common genomic normalization methods. The key aspect is the generation of plots that serve to highlight context-relevant feature dominance.

Given a sample data table and a design formula, ExploreModelMatrix generates an interactive application for exploration of the resulting design matrix. This can be helpful for interpreting model coefficients and constructing appropriate contrasts in (generalized) linear models. Static visualizations can also be generated.

4way plots enable a comparison of the logFC values from two contrasts of differential gene expression. The gg4way package creates 4way plots using the ggplot2 framework and supports popular Bioconductor objects. The package also provides information about the correlation between contrasts and significant genes of interest.

Generative AI system for antibiotic discovery that searches billions of synthesizable molecules by combining molecular building blocks through real chemical reactions, experimentally validating novel compounds active against drug-resistant bacteria

Trackastra is a transformer-based cell-tracking tool for live-cell microscopy. It links already segmented cell instances across time by predicting associations between detections. It supports greedy tracking with or without cell divisions, optional ILP-based linking, pretrained tracking models, and export of tracked masks and lineage information in Cell Tracking Challenge format.

A tool that enables in silico identification, integration, and modeling of mRNA features that influence post-transcriptional regulation of gene expression at a transcriptome-wide scale.

Assigning probability scores to protein interactions captured in affinity purification mass spectrometry (AP-MS) expriments to infer protein-protein interactions. The output would facilitate non-specific background removal as contaminants are commonly found in AP-MS data.

Hilbert curve is a type of space-filling curves that fold one dimensional axis into a two dimensional space, but with still preserves the locality. This package aims to provide an easy and flexible way to visualize data through Hilbert curve.

hammers is a utilities suite for scRNA-seq data analysis compatible with both Seurat and SingleCellExperiment. It provides simple tools to address tasks such as retrieving aggregate gene statistics, finding and removing rare genes, performing representation analysis, computing the center of mass for the expression of a gene of interest in low-dimensional space, and calculating silhouette and cluster-normalized silhouette.

Distributional flow matching model for robust single-cell perturbation prediction, modeling the full distribution of perturbed cellular expression profiles conditioned on control states via PAD-Transformer and multi-kernel MMD regularization; reduces MSE by 19.6% over the strongest baseline in combinatorial settings (Westlake University, 41+ stars, MIT License)

Benchmark evaluating AI agents' ability to replicate 20 ICML 2024 Spotlight/Oral papers from scratch, with 8,316 gradable tasks and author-co-developed rubrics

End-to-end molecular dynamics engine built on PyTorch, enabling differentiable simulations with neural network potentials and GPU acceleration for machine learning-accelerated molecular dynamics (MIT License, 707+ stars)

CBN2Path package provides a unifying interface to facilitate CBN-based quantification, analysis and visualization of cancer progression pathways.

Fast FASTQ filtering by matching reads against one or more regex patterns.

Scaling efficient, expressive, and general SE(3)-equivariant graph attention transformers for atomic systems and machine-learned interatomic potentials (MIT License, 2026)

This package provides Bioconductor-friendly wrappers for RNA velocity calculations in single-cell RNA-seq data. We use the basilisk package to manage Conda environments, and the zellkonverter package to convert data structures between SingleCellExperiment (R) and AnnData (Python). The information produced by the velocity methods is stored in the various components of the SingleCellExperiment class.

Pretrained machine-learned force field for (bio)molecular simulations combining the fast SO3krates neural network for semi-local interactions with universal pairwise force fields for short-range repulsion, long-range electrostatics, and dispersion interactions; supports geometry optimization, NVT/NPT/NVE MD, fine-tuning, ASE calculator, and JAX-MD integration (JACS 2025, 218+ stars, MIT License)

Self-attention transformer performing simultaneous earthquake detection and P/S phase picking on continuous seismic waveforms, trained on the large-scale STEAD benchmark dataset and outperforming legacy detection methods with far fewer false positives; widely adopted by seismological observatories for earthquake monitoring, included in SeisBench model collections, and extended by efficient EQT-Mini/EQT-Lite successors for real-time deployment (Stanford, 418+ stars, MIT License, actively maintained)

AstraZeneca's industrial-grade retrosynthetic planning tool using MCTS to recursively decompose molecules into purchasable precursors, with multi-step route scoring and support for custom one-step models (v4.0, 2024)

Stamps Seurat, SingleCellExperiment, and SummarizedExperiment objects with a persistent metadata passport. For Seurat objects the passport is stored in the misc slot; for SingleCellExperiment and SummarizedExperiment objects it is stored in the metadata slot. Tracks animal info, experiment details, lineage (parent/child relationships), RDS registry numbers, processing logs, and custom fields. Includes an interactive Shiny gadget to fill and update the passport, and a read mode to print the full passport to console. The passport persists inside the RDS file with no external files needed.

Implements a DelayedArray backend for reading and writing dense or sparse arrays in the TileDB format. The resulting TileDBArrays are compatible with all Bioconductor pipelines that can accept DelayedArray instances.

Improved equivariant Transformer for 3D atomic graphs (ICLR2024)

A series of statistical models using count generating distributions for background modelling, feature and sample QC, normalization and differential expression analysis on GeoMx RNA data. The application of these methods are demonstrated by example data analysis vignette.

This package provides a DelayedArray interface for plink bed files. There is support for interfacing to plink genotype data via RangedSummarizedExperiment. Example data from the GEUVADIS project (internationalgenome.org) are used for demonstration.

Equivariant foundation models for materials "on a budget", releasing pre-trained universal interatomic potentials (nequix-mp-1 on MPtrj, nequix-omat-1 on OMat24, nequix-oam-1 combining OMat24, sAlex, and MPtrj frontier datasets) with phonon fine-tuning (PFT) for accurate lattice dynamics and analytical Hessians; pip-installable with ASE calculator and JAX/PyTorch backends with OpenEquivariance kernels (Atomic Architects, 76+ stars, MIT License, 2025-2026)

Provides a consistent interface for downloading, storing, and accessing immune receptor (TCR/BCR) and HLA sequences from IMGT, IPD-IMGT/HLA, and OGRDB (AIRR-C). Supports export to popular analysis tools including MiXCR, TRUST4, Cell Ranger, and IgBLAST. This package serves as a core dependency for immunogenomics packages, ensuring reliable and high-quality sequence access with local caching for reproducibility.

HiCool provides an R interface to process and normalize Hi-C paired-end fastq reads into .(m)cool files. .(m)cool is a compact, indexed HDF5 file format specifically tailored for efficiently storing HiC-based data. On top of processing fastq reads, HiCool provides a convenient reporting function to generate shareable reports summarizing Hi-C experiments and including quality controls.

Provides R wrappers of several on-target and off-target scoring methods for CRISPR guide RNAs (gRNAs). The following nucleases are supported: SpCas9, AsCas12a, enAsCas12a, and RfxCas13d (CasRx). The available on-target cutting efficiency scoring methods are RuleSet1, RuleSet3, DeepHF, enPAM+GB, and CRISPRscan. Both the CFD and MIT scoring methods are available for off-target specificity prediction. The package also provides a Lindel-derived score to predict the probability of a gRNA to produce indels inducing a frameshift for the Cas9 nuclease. Note that DeepHF and enPAM+GB are not available on Windows machines.

Provides a user-friendly interface to map on-targets and off-targets of CRISPR gRNA spacer sequences using bwa. The alignment is fast, and can be performed using either commonly-used or custom CRISPR nucleases. The alignment can work with any reference or custom genomes. Currently not supported on Windows machines.

Complex heatmaps are efficient to visualize associations between different sources of data sets and reveal potential patterns. Here the ComplexHeatmap package provides a highly flexible way to arrange multiple heatmaps and supports various annotation graphics.

LLM agent framework for Earth Observation with 104 specialized tools across 5 functional kits

Tool to build force field input files for molecular simulation.

GFF and GTF file manipulation and interconversion.

Differential open reading frame (ORF) translation analysis framework for ribosome profiling (Ribo-seq) with matched RNA-seq. Implements (i) Differential ORF Usage (DOU), a beta-binomial generalized linear model that models the expected proportion of Ribo-seq versus RNA-seq reads mapping to each ORF within a gene, and (ii) ORF-level Differential Translation Efficiency (DTE), a negative binomial GLM that capture changes in translation efficiency of individual ORFs across experimental conditions. Supports ORF-level read summarization for bulk and single-cell Ribo-seq.

Google Colab-based no-code toolbox democratizing deep learning in microscopy for biologists without programming experience, enabling AI-powered image segmentation, denoising, super-resolution, and object tracking across diverse imaging modalities (Henriques Lab, 640+ stars)

First agentic framework for weather science, pairing an LLM with ZephyrusWorld (a code-execution environment exposing WeatherBench 2 data, geolocation, forecasting, simulation, and climatology tools) and ZephyrusBench (2,230 Q&A pairs across 49 weather-science tasks); outperforms text-only baselines by up to 44.2 percentage points (UC San Diego Rose-STL-Lab, 99+ stars, MIT License, 2026)

Provides R bindings for HiSpa, a hierarchical Bayesian model for inferring three-dimensional chromatin structures from Hi-C contact matrices using Markov Chain Monte Carlo (MCMC) sampling. The package implements a cluster-based hierarchical approach that efficiently handles large-scale Hi-C datasets. It uses Rcpp and RcppArmadillo for efficient C++ integration with the original HiSpa C++ implementation, enabling fast computation of chromatin structure inference through parallel MCMC sampling.

RNAshapeQC provides coverage-shape-based quality control (QC) metrics for mRNA-seq and total RNA-seq data. It supports per-gene pileup construction from BAM files as well as toy datasets for quick-start examples. The package implements protocol-specific metrics, including decay rate (DR), degradation score (DS), mean coverage depth (MCD), window coefficient of variation (wCV), area under the curve (AUC), and shape-based sample-level indices. RNAshapeQC also includes HPC-friendly functions for per-gene batch processing and cross-study pileup generation. This package enables interpretable, protocol-specific QC assessments for diverse RNA-seq workflows.

Provides functions for counting reads from high-throughput sequencing screen data (e.g., CRISPR, shRNA) to quantify barcode abundance. Currently supports single barcodes in single- or paired-end data, and combinatorial barcodes in paired-end data.

Large-scale benchmark suite for protein fitness prediction and design, aggregating 200+ deep mutational scanning assays and clinical variant datasets across diverse protein families and taxa, with standardized zero-shot and supervised leaderboards for variant effect prediction, mutation effect prediction, and protein language model evaluation (OATML & Marks Lab, NeurIPS 2023 Spotlight, Datasets & Benchmarks)

AlphaFold fine-tuned with flow matching for generating protein conformational ensembles, covering both experimental PDB states and molecular dynamics ensembles at physiological temperatures; includes ESMFlow variant (MIT, 526+ stars, 2024)

A C++ library for parsing and manipulating VCF files.

Create, handle, validate, visualize and convert networks in the Cytoscape exchange (CX) format to standard data types and objects. The package also provides conversion to and from objects of iGraph and graphNEL. The CX format is also used by the NDEx platform, a online commons for biological networks, and the network visualization software Cytocape.

Provides a complete workflow for the identification, analysis, and functional annotation of long non-coding RNAs (lncRNAs) from RNA-Seq data. The package includes functions for filtering transcripts from GTF files, evaluating the performance of multiple coding potential prediction tools (e.g., CPC2, PLEK, CPAT), and summarizing their agreement. It enables systematic performance analysis of individual tools, "at least N" tool consensus, and all possible tool combinations. Functional analysis is supported through the identification of potential cis- and trans-acting interactions with protein-coding genes, followed by enrichment analysis. Results can be visualized using a variety of plots, including radar plots, clock plots, and interactive Sankey diagrams.

Transform arXiv papers into Beamer slides using LLMs