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This package implements a metabolic network analysis pipeline to identify an active metabolic module based on high throughput data. The pipeline takes as input transcriptional and/or metabolic data and finds a metabolic subnetwork (module) most regulated between the two conditions of interest. The package further provides functions for module post-processing, annotation and visualization.

Cross-domain foundation model for continuum dynamics trained on 19 physical scenarios spanning 63 variables, featuring adaptive compute via stride modulation and patch jittering for long-run stability (Polymathic AI, 293+ stars, MIT License)

Provides a reproducible and modular workflow for absolute microbial quantification using spike-in controls. Supports both single spike-in taxa and synthetic microbial communities with user-defined spike-in volumes and genome copy numbers. Compatible with 'phyloseq' and 'TreeSummarizedExperiment' (TSE) data structures. The package implements methods for spike-in validation, preprocessing, scaling factor estimation, absolute abundance conversion, bias correction, and normalization. Facilitates downstream statistical analyses with 'DESeq2', 'edgeR', and other Bioconductor-compatible methods. Visualization tools are provided via 'ggplot2', 'ggtree', and related packages. Includes detailed vignettes, case studies, and function-level documentation to guide users through experimental design, quantification, and interpretation.

Autonomous multi-agent AI scientist that mirrors a PhD workflow: literature review → grounded hypothesis → real ML experiments → self-critique → write-up; features a deterministic harness with frozen-metric scoring, edit allowlists, and a verified registry to make reward-hacking and hallucination impossible, plus 108 unit tests runnable without API keys or GPUs (461+ stars, MIT License, 2026)

STADyUM is a package with functionality for analyzing nascent RNA read counts to infer transcription rates. This includes utilities for processing experimental nascent RNA read counts as well as for simulating PRO-seq data. Rates such as initiation, pause release and landing pad occupancy are estimated from either synthetic or experimental data. There are also options for varying pause sites and including steric hindrance of initiation in the model.

DenoIST identifies and removes contamination in Image-based Spatial Transcriptomics data, using a transposed poisson mixture model with local neighbourhood offsets to infer genes that are likely to be due to neighbourhood contamination rather than endogenous expression.

MeLSI (Metric Learning for Statistical Inference) is a novel machine learning method for microbiome data analysis that learns optimal distance metrics to improve statistical power in detecting group differences. Unlike traditional distance metrics (Bray-Curtis, Euclidean, Jaccard), MeLSI adapts to the specific characteristics of your dataset to maximize separation between groups. The method uses an ensemble of weak learners to identify which microbial features drive group differences, providing both improved statistical power and biological interpretability through feature importance weights.

Have you ever index sorted cells in a 96 or 384-well plate and then sequenced using Sanger sequencing? If so, you probably had some struggles to either check the electropherogram of each cell sequenced manually, or when you tried to identify which cell was sorted where after sequencing the plate. Scifer was developed to solve this issue by performing basic quality control of Sanger sequences and merging flow cytometry data from probed single-cell sorted B cells with sequencing data. scifer can export summary tables, 'fasta' files, electropherograms for visual inspection, and generate reports.

Diffusion-based document OCR framework replacing autoregressive decoding with block-level parallel diffusion decoding, enabling high-accuracy text recognition in scientific PDFs (613+ stars, MIT License)

pairedGSEA makes it simple to run a paired Differential Gene Expression (DGE) and Differencital Gene Splicing (DGS) analysis. The package allows you to store intermediate results for further investiation, if desired. pairedGSEA comes with a wrapper function for running an Over-Representation Analysis (ORA) and functionalities for plotting the results.

Annotate a VCF with other VCFs/BEDs/tabixed files.

Cross-platform system optimizations for accelerating AlphaFold3 training with 1.73x speedup and 1.23x memory reduction

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)

Learning the language of protein-protein interactions

Genomic foundation model for metagenomic and genome annotation, featuring an 8k base-pair context and 500M parameters trained on 386B base pairs of eukaryotic DNA; provides expert models and a unified CLI for prokaryotic/eukaryotic coding-sequence annotation with strong performance on Genomic Benchmarks, Nucleotide Transformer tasks, and custom Gener tasks (GenerTeam, 314+ stars, MIT License)

Automatic atomic model building program for cryo-EM maps using deep learning, enabling rapid de novo protein structure determination from electron density with high accuracy (3DEM/EMBL, 169+ stars)

Gene regulatory networks model the underlying gene regulation hierarchies that drive gene expression and observed phenotypes. Epiregulon infers TF activity in single cells by constructing a gene regulatory network (regulons). This is achieved through integration of scATAC-seq and scRNA-seq data and incorporation of public bulk TF ChIP-seq data. Links between regulatory elements and their target genes are established by computing correlations between chromatin accessibility and gene expressions.

Python library to train, interpret, and apply deep learning models to DNA sequences, providing a unified framework for regulatory genomics with support for CNN and transformer architectures, variant effect prediction, and attribution analysis (325+ stars)

General-purpose deep learning backbone for molecular modeling

The ReactomeGSA packages uses Reactome's online analysis service to perform a multi-omics gene set analysis. The main advantage of this package is, that the retrieved results can be visualized using REACTOME's powerful webapplication. Since Reactome's analysis service also uses R to perfrom the actual gene set analysis you will get similar results when using the same packages (such as limma and edgeR) locally. Therefore, if you only require a gene set analysis, different packages are more suited.

Implementation of the Ibex algorithm for single-cell embedding based on BCR sequences. The package includes a standalone function to encode BCR sequence information by amino acid properties or sequence order using tensorflow-based autoencoder. In addition, the package interacts with SingleCellExperiment or Seurat data objects.

Data analysis for Single File Injections(SFIs) mode LC-MS analysis. In SFIs mode, pooled samples are initially injected to serve as reference peaks for subsequent analyses. Repeated injections of individual samples are then performed at fixed time intervals using isocratic elution. This package provides the functions to analyze data from SFIs mode including peak picking and peak reassignment.

A Swiss Army knife for genome arithmetic.

A Go library and command line utility for engineering organisms.

A static web application presents an interactive knowledge graph of single-cell long-read RNA sequencing literature synthesized from seven source papers. Users navigate mind-tree, network graph, guided learning-path, and Sankey views linking platforms, protocols, methods, and software. A benchmark tab provides 34 question-answer pairs with category and difficulty filters, exportable as JSON or CSV for LLM and agent evaluation.

Phylo-Movies is an open-source React and Flask web application, also available as a desktop app, for inspecting ordered phylogenetic tree series. It computes and visualizes subtree-prune-and-regraft transition frames between consecutive trees, helping users see which taxa or subtrees move across sliding-window analyses, bootstrap replicates, and curated tree-series comparisons. The viewer includes timeline playback, tree comparison, MSA context, coloring, analytics, image export, and recording tools.

Bias factorized, base-resolution deep learning models of chromatin accessibility (chromBPNet).

Multi-agent system with Parser-Planner-Painter architecture converting `paper.pdf` to editable `poster.pptx`, outperforms GPT-4o with 87% fewer tokens

Self-evolving AI research colleague built on OpenClaw with 285+ runtime-adaptive skills across 28+ disciplines, persistent cross-session research memory, and zero-hallucination citation protocols; agent autonomously writes new SKILL.md files based on research patterns without redeployment (828+ stars, MIT License, 2026)

LLM-native molecular language that represents molecules as explicit graph-based code, enabling LLMs to operate and reason on chemistry directly with 5× lower token cost and ~76-80% accuracy on novel molecules vs ~20% for SMILES; supports small molecules, polymers, and Markush structures with lossless RDKit interconversion and Claude Code/Codex agent skills (AtomFlow, arXiv:2605.16480, 281+ stars, MIT License, 2026)

A graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia

End-to-end composable multi-agent framework for automating OpenFOAM-based CFD simulations from natural language prompts, managing meshing, case setup, execution, error correction, and post-processing; achieves 100% success rate on 110 FoamBench tasks with Claude Opus 4.6 through Architect-Input Writer-Runner-Reviewer agent collaboration with RAG-enhanced generation and MCP tool integration (RPI CSML, 242+ stars, MIT License)

Programmatic framework for designing state-switching proteins via backpropagation through compositional design constraints parameterized by structure prediction models; enables de novo design of allosteric regulators and fluorescent biosensors for arbitrary small-molecule analytes (79+ stars, MIT License, ICML 2026)

Efficient differentiable n-dimensional PDE solvers built on JAX and Equinox, shipping 46+ built-in equations with Fourier spectral methods, exponential time differencing, and full auto-differentiation for physics-based deep learning workflows (MIT, 200+ stars, 2024)

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.

A haplotype-resolved assembler for accurate Hifi reads.

Interactive R package with an intuitive Shiny-based graphical interface for alternative splicing quantification and integrative analyses of alternative splicing and gene expression based on The Cancer Genome Atlas (TCGA), the Genotype-Tissue Expression project (GTEx), Sequence Read Archive (SRA) and user-provided data. The tool interactively performs survival, dimensionality reduction and median- and variance-based differential splicing and gene expression analyses that benefit from the incorporation of clinical and molecular sample-associated features (such as tumour stage or survival). Interactive visual access to genomic mapping and functional annotation of selected alternative splicing events is also included.

Tool for converting raw DNA data files between 23andMe, AncestryDNA, MyHeritage, and FamilyTreeDNA formats.

High-throughput PubChem client for batch queries with caching, validation, rate-limit-aware retries, and a simple CLI.

First fully open-source model achieving AlphaFold3-level accuracy with 1000x faster binding affinity prediction (MIT)

Highly scalable equivariant deep learning interatomic potentials enabling million-atom molecular dynamics simulations with ab initio accuracy, building on E(3)-equivariant architectures for large-scale atomistic modeling (mir-group, MIT License, 480+ stars)

Generative foundation model for functional antibody and nanobody design, supporting de novo generation, affinity maturation, inverse design, structure prediction, and humanization (Tencent AI4S, ICLR 2025)

Provides univariate and multivariate statistics for feature prioritization in untargeted LC-MS metabolomics research.

End-to-end autonomous AI research engine that turns an idea into a complete LaTeX paper by dispatching real computational experiments to local GPUs or SLURM clusters, collecting actual results, generating figures/tables, and writing a data-grounded manuscript rather than LLM hallucinations (OpenRaiser, 1.5K+ stars, MIT License, 2026)

Curated collection of agent skills for scientific research (InternScience, 493+ stars, 2026)

Vendors an assortment of useful header-only C++ libraries. Bioconductor packages can use these libraries in their own C++ code by LinkingTo this package without introducing any additional dependencies. The use of a central repository avoids duplicate vendoring of libraries across multiple R packages, and enables better coordination of version updates across cohorts of interdependent C++ libraries.

3D vision-language model for computed tomography that leverages both structured electronic health records (EHR) and unstructured radiology reports for pretraining, enabling multimodal medical understanding and radiology report generation (447+ stars, MIT License, 2026)

Automated cell type annotation tool for single-cell transcriptomics using gradient boosting and logistic regression with reference atlases, enabling standardized classification across datasets (Wellcome Sanger Institute, Nature Biotechnology 2022)

Automate downloading, opening, and parsing DrugBank.

LLM agents for working with the SRA (Sequence Read Archive) and associated bioinformatics databases, enabling natural language querying of high-throughput sequencing data and metadata across genomic repositories (Arc Institute, 169+ stars, 2024-2026)