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Samples (-omics, imaging, single cell, etc) often are collected or processed in multiple batches or at different times. This often produces technical biases that can lead to incorrect results in the downstream analysis. BatchQC is a software tool that streamlines batch preprocessing and evaluation by providing interactive diagnostics, visualizations, and statistical analyses to explore the extent to which batch variation impacts the data. BatchQC diagnostics help determine whether batch adjustment needs to be done, and how correction should be applied before proceeding with a downstream analysis. Moreover, BatchQC interactively applies multiple common batch effect approaches to the data and the user can quickly see the benefits of each method. BatchQC is developed as a Shiny App. The output is organized into multiple tabs and each tab features an important part of the batch effect analysis and visualization of the data. The BatchQC interface has the following analysis groups: Summary, Differential Expression, Median Correlations, Heatmaps, Circular Dendrogram, PCA Analysis, Shape, ComBat and SVA.

PhyloProfile is a tool for exploring complex phylogenetic profiles. Phylogenetic profiles, presence/absence patterns of genes over a set of species, are commonly used to trace the functional and evolutionary history of genes across species and time. With PhyloProfile we can enrich regular phylogenetic profiles with further data like sequence/structure similarity, to make phylogenetic profiling more meaningful. Besides the interactive visualisation powered by R-Shiny, the package offers a set of further analysis features to gain insights like the gene age estimation or core gene identification.

scTypeEval provides tools to evaluate and validate cell type classifications in single-cell transcriptomics when ground truth labels are limited or unavailable. Results are organized in an S4 object that integrates processed data, dimensional reductions, dissimilarity assays, and consistency metrics computed across samples. The workflow includes preprocessing and feature selection, principal component analysis, computation of dissimilarity matrices, internal validation metrics (for example, silhouette-based summaries), and visualization utilities to inspect heatmaps and PCA plots. Functions support common single-cell containers and enable comparison of clustering and labeling strategies across datasets.

An ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences.

Microsoft's foundation model for the Earth system supporting weather, air pollution, and ocean wave forecasting at multiple resolutions, trained on 1M+ hours of diverse atmospheric data (Nature 2025)

Module for single-cell data extraction given a segmentation mask and multi-channel image.

Compare differential gene expression results with those from known cellular perturbations (such as gene knock-down, overexpression or small molecules) derived from the Connectivity Map. Such analyses allow not only to infer the molecular causes of the observed difference in gene expression but also to identify small molecules that could drive or revert specific transcriptomic alterations.

Minimalist, batteries-included repository for training video world models with diffusion-forcing, supporting long-horizon rollouts, 3D point-cloud generation, and model-predictive control with pretrained checkpoints (Simchowitz Lab, 700+ stars, MIT License, 2026)

This package allows to estimate chronological and gestational DNA methylation (DNAm) age as well as biological age using different methylation clocks. Chronological DNAm age (in years) : Horvath's clock, Hannum's clock, BNN, Horvath's skin+blood clock, PedBE clock and Wu's clock. Gestational DNAm age : Knight's clock, Bohlin's clock, Mayne's clock and Lee's clocks. Biological DNAm clocks : Levine's clock and Telomere Length's clock.

Generates pre-miRNA and mature miRNA count tables from read alignments to pre-miRNA sequences and a gff file, both downloaded from mirBase. Produces also read coverage plots of pre-miRNAs.

PyTorch-native atomistic simulation engine for the machine-learned interatomic potential (MLIP) era, enabling batched molecular dynamics and structural relaxation with automatic GPU memory management; supports MACE, Fairchem, SevenNet, ORB, MatterSim and other popular MLIPs with up to 100x speedup over ASE (Radical AI, AI for Science 2026, 468+ stars, MIT License)

Capture Hi-C is a set of techniques that enable the detection of genomic interactions involving regions of interest, known as baits. By focusing on selected loci, these approaches reduce sequencing costs while maintaining high resolution at the level of restriction fragments. HiCaptuRe provides tools to import, annotate, manipulate, and export Capture Hi-C data. The package accounts for the specific structure of bait–otherEnd interactions, facilitates integration with other omics datasets, and enables comparison across samples and conditions.

Modular framework for AI-driven scientific and algorithmic discovery, providing a unified interface for implementing, running, and fairly comparing discovery algorithms across 200+ optimization tasks; introduces AdaEvolve and EvoX adaptive/evolutionary algorithms and natively supports OpenEvolve, GEPA, and Harbor-format benchmarks (skydiscover-ai, 568+ stars, Apache 2.0, 2026)

Open source PEM (Proton Exchange Membrane) fuel cell simulation tool.

Open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives, enabling quantum algorithm development for quantum chemistry, materials science, and optimization research (IBM, 7.4K+ stars, Apache 2.0)

High-throughput cell imaging facilitates the analysis of cell migration across many wells treated under different biological conditions. These workflows generate considerable technical noise and biological variability, and therefore technical and biological replicates are necessary, leading to large, hierarchically structured datasets, i.e., cells are nested within technical replicates that are nested within biological replicates. Current statistical analyses of such data usually ignore the hierarchical structure of the data and fail to explicitly quantify uncertainty arising from technical or biological variability. To address this gap, we present cellmig, an R package implementing Bayesian hierarchical models for migration analysis. cellmig quantifies condition- specific velocity changes (e.g., drug effects) while modeling nested data structures and technical artifacts. It further enables synthetic data generation for experimental design optimization.

Composable computational-science methodology skills for AI research agents emphasizing pre-registration, reproducible workspaces, and red-team review to guard against p-hacking and HARKing; zero third-party dependencies and runs with any agent harness plus a POSIX shell (281+ stars, MIT License, 2026)

Open-source scientific multimodal foundation model built on a 235B MoE LLM and 6B vision encoder, continually pretrained on 5T tokens including 2.5T scientific-domain tokens, with strong results across chemistry, materials, life science, and earth science benchmarks (2025)

High-accuracy PDF→Markdown/JSON/HTML conversion, specialized for tables/formulas/code blocks with benchmark scripts

HIDE-Deconv is a framework for characterizing cellular remodeling from bulk RNA-seq data using hierarchical cell-type deconvolution across multiple levels of cellular resolution. It provides an integrated workflow for single-cell reference preprocessing, estimation of cellular compositions, and downstream analysis of deconvolution results, including visualization, clustering, differential composition, and survival analysis.

Scientific machine learning benchmarks & differential equation solvers

Evolvable and privacy-preserving multi-agent framework automating, scaling, and accelerating data sciences with a particular focus on end-to-end single-cell biology analyses; features agentic code evolution, multi-agent team orchestration, distributed architecture, and a community marketplace with 1,000+ curated agents and skills (428+ stars)

An object-oriented, webGL based JavaScript library for online molecular visualization.

Julia differential equations suite

Seamlessly interfaces the Basic Local Alignment Search Tool (BLAST) running locally to search genetic sequence data bases. This work was partially supported by grant no. R21HG005912 from the National Human Genome Research Institute.

Flow-matching protein folding model using only general-purpose transformer layers, scaled to 3B parameters and trained on 8.6M+ distilled structures; challenges the reliance on complex domain-specific architectures and supports PyTorch and MLX backends with model sizes from 100M to 3B parameters (985+ stars, MIT License)

Large-scale knowledge graph and pip-installable client for literature-grounded automated scientific research, connecting papers, authors, institutions, venues, keywords, citations, and a four-level research taxonomy across medicine, social sciences, engineering, computer science, materials science, and more (ZJU NLP, arXiv 2026, 136+ stars, MIT License)

Performs feature annotations on LC-MS All-ion fragmentation datasets using fragment ion libraries.

by Fabian-Robert Stöter.

Deterministic, rule-based variant interpretation platform for clinical genetics laboratories. Automates ACMG/AMP 2015 classification using a Bayesian point-based framework (Tavtigian et al. 2018) with BayesDel ClinGen SVI-calibrated thresholds (Pejaver et al. 2022). Integrates 8 reference databases (gnomAD v4.1, ClinVar, dbNSFP 4.9c, SpliceAI, gnomAD Constraint, HPO, ClinGen, Ensembl VEP). Analyzes nuclear and mtDNA variants, structural and copy-number variants (SV/CNV), with trio/family and cohort analysis. Supports HPO-based phenotype matching, biomedical literature mining across 2M+ PubMed publications, and structured clinical report generation. AI assists in evidence synthesis but does not make classification decisions. EU-hosted on dedicated infrastructure in Helsinki, Finland (GDPR-compliant).

BreastSubtypeR provides an assumption-aware, multi-method framework for intrinsic molecular subtyping of breast cancer. The package harmonizes several published nearest-centroid (NC) and single-sample predictor (SSP) classifiers, supplies method-specific preprocessing and robust probe-to-gene mapping, and implements a cohort-aware AUTO mode that selectively enables classifiers compatible with the cohort composition. A local Shiny app (iBreastSubtypeR) is included for interactive analyses and to support users without programming experience.

Fully open-source (Apache 2.0) biomolecular structure prediction reproducing AlphaFold3, free for academic and commercial use (Columbia AlQuraishi Lab & OpenFold Consortium, 2025)

Multi-PDF conversation, retrieval, and citation in Zotero with commercial/local models (Ollama), MCP support

RBPBench is a multi-function tool to evaluate CLIP-seq and other related genomic region data using a comprehensive collection of known RNA-binding protein (RBP) binding motifs. RBPBench can be used for a variety of purposes, from RBP motif search (database or user-supplied RBP motifs) in genomic regions, over motif enrichment and co-occurrence analysis, in-depth comparisons over multiple datasets via sequence and genomic annotation statistics, to benchmarking CLIP-seq peak caller methods as well as comparisons across cell types and CLIP-seq protocols. RBPBench supports both sequence and structure motifs, as well as regular expressions (sequence and structure patterns). Moreover, users can easily provide their own motif collections.

Evaluating the reliability of your own metrics and the measurements done on your own datasets by analysing the stability and goodness of the classifications of such metrics.

BED files store ranged genomic data that can be queried even when the files are compressed. iscream can query data from BED files and return them in muliple formats: parsed records or their summary statistics as data frames or GenomicRanges objects, and matrices as matrix, GenomicRanges, or SummarizedExperiment objects. iscream also provides specialized support for importing methylation data.

Microsoft's AI-powered geospatial Earth science application for natural-language exploration, visualization, and analysis of 130+ satellite collections, with STAC integration, multi-agent backend, MCP server, and deployable React/FastAPI stack (MIT, 2025)

A single molecule sequence assembler for genomes large and small.

Deep probabilistic framework for single-cell and spatial omics analysis, integrating scVI, scANVI, totalVI and other VAE-based models for batch correction, cell annotation, multi-omics integration, and RNA velocity (scverse/NumFOCUS, Nature Methods 2018/2024)

The "FRamewOrk for Molecular AGgregate Excitations" enables localised QM/QM' excited state calculations in a solid state environment.

The package includes some statistical outlier detection methods for epimutations detection in DNA methylation data. The methods included in the package are MANOVA, Multivariate linear models, isolation forest, robust mahalanobis distance, quantile and beta. The methods compare a case sample with a suspected disease against a reference panel (composed of healthy individuals) to identify epimutations in the given case sample. It also contains functions to annotate and visualize the identified epimutations.

Performs unbiased cell type recognition from single-cell RNA sequencing data, by leveraging reference transcriptomic datasets of pure cell types to infer the cell of origin of each single cell independently.

This package provides extensive functionality for comparing results obtained by different methods for differential expression analysis of RNAseq data. It also contains functions for simulating count data. Finally, it provides convenient interfaces to several packages for performing the differential expression analysis. These can also be used as templates for setting up and running a user-defined differential analysis workflow within the framework of the package.

"Methylation-Aware Genotype Association in R" (MAGAR) computes methQTL from DNA methylation and genotyping data from matched samples. MAGAR uses a linear modeling stragety to call CpGs/SNPs that are methQTLs. MAGAR accounts for the local correlation structure of CpGs.

Cython + HTSlib == fast VCF parsing; even faster parsing than pyVCF.

Phylogeny-aware genomic language model trained on whole-genome alignments across multiple evolutionary timescales, predicting functional constraints and variant effects for human, mouse, chicken, fly, worm, and Arabidopsis genomes (344+ stars, MIT License)

Useful functions to visualize single cell and spatial data. It supports visualizing 'Seurat', 'SingleCellExperiment' and 'SpatialExperiment' objects through grammar of graphics syntax implemented in 'ggplot2'.

A streamlined tool provides a graphical user interface for quality control based signal drift correction (QC-RFSC), integration of data from multi-batch MS-based experiments, and the comprehensive statistical analysis in metabolomics and proteomics.

JAMMA (Highly-Accelerated Multi-method Mixed-Model Association) is an open-source Python and C implementation of GEMMA's core linear mixed-model workflows for genome-wide association studies (GWAS). It reads PLINK binary genotypes and supports kinship estimation, Wald, likelihood-ratio and score association tests, covariates, multiple phenotypes, and leave-one-chromosome-out (LOCO) analysis. JAMMA provides a command-line interface with familiar GEMMA flags, GEMMA-compatible association output, and a Python API. Native C kernels, parallel computation and reusable eigendecompositions support large analyses. Pre-flight memory checks and streamed output help manage memory use. Numerical validation against GEMMA is documented. JAMMA runs on Linux, macOS and Windows; large-cohort analyses require sufficient RAM and a suitable 64-bit BLAS configuration. Released under GPL-3.0-or-later.

Foundation model for joint segmentation, detection, and recognition of biomedical objects across nine imaging modalities, with v2 introducing BoltzFormer architecture for end-to-end 3D inference (Microsoft, Nature Methods 2025)