Find open-source science resources

Provides a unified interface to a variety of GSEA techniques from different bioconductor packages. Results are harmonized into a single object and can be interrogated uniformly for quick exploration and interpretation of results. Interactive exploration of GSEA results is enabled through a shiny app provided by a sparrow.shiny sibling package.

AlphaFold/ESMFold accessible implementation with AF3 JSON export, database updates

A transparent, unit-aware calculator for the mathematical relationship between peptide mass, target concentration and solution volume. It normalizes mg, micrograms, mL and microlitres, shows the formula and includes a reference syringe visualization. Research-use-only software: it does not select a solvent, validate a laboratory method, calculate a dose or provide administration guidance.

Design, conduct and analyze results of AI-powered surveys and experiments. Simulate social science and market research with large numbers of AI agents and LLMs (460+ stars, 2024)

Galaxy Tool Shed repositories maintained and developed by the GalaxyP community

Bioconductor has a rich ecosystem of metadata around packages, usage, and build status. This package is a simple collection of functions to access that metadata from R. The goal is to expose metadata for data mining and value-added functionality such as package searching, text mining, and analytics on packages.

Multi-agent system automatically transforming research papers into interactive AI agents with MCP server generation, tutorial auto-detection, and benchmark extraction (2.2K+ stars, MIT License, 2025)

Microsoft's generative model for sampling protein equilibrium conformations 100,000× faster than MD simulations, predicting domain motions, local unfolding and cryptic binding pockets on a single GPU (Science 2025)

Benchmark evaluating AI agents for end-to-end automated research from re-discovery to new-discovery, with 40 real-science tasks across 10 disciplines, curated datasets from published papers, and expert-curated multimodal rubrics (170+ stars, MIT License)

Curated library of 550+ medical research agent skills spanning evidence insights, protocol design, omics/clinical data analysis, and academic writing; each skill is reviewed through MedSkillAudit and compatible with Claude Code, Codex, Open Code, OpenClaw, and SKILL.md-compatible agents (AIPOCH, 1.2K+ stars, MIT License, 2026)

bettr provides a set of interactive visualization methods to explore the results of a benchmarking study, where typically more than a single performance measures are computed. The user can weight the performance measures according to their preferences. Performance measures can also be grouped and aggregated according to additional annotations.

Toolkit for identification and statistical testing of RNA editing signals from within R. Provides support for identifying sites from bulk-RNA and single cell RNA-seq datasets, and general methods for extraction of allelic read counts from alignment files. Facilitates annotation and exploratory analysis of editing signals using Bioconductor packages and resources.

Tools to compute and visualize overlaps between gene sets or genomic regions. Venn diagrams with proportional areas are provided, while UpSet plots are recommended for larger numbers of sets. The package supports GRanges and GRangesList inputs, and integrates with analysis workflows for ChIP-seq, ATAC-seq, and other genomic interval data. It generates clean, interpretable, and publication-ready figures.

Offline tool for cleaning tables of human gene and protein identifiers (TXT, CSV, TSV, XLSX). It maps approved symbols, aliases, previous symbols, Ensembl gene, UniProt, Entrez, RefSeq and HGNC identifiers to current HGNC approved symbols with cross-references, using a bundled HGNC snapshot. Excel date-corrupted symbols are recovered where the original is unambiguous and flagged for manual review otherwise; no input row is dropped. Each run records the tool version and HGNC release and writes a per-row audit table.

Community-driven model zoo and deployment infrastructure for AI-powered bioimage analysis, enabling standardized sharing, validation, and cross-platform execution of deep learning models across Fiji, Ilastik, napari, and other scientific imaging tools (EPFL, EMBL, and global collaborators, actively maintained)

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.

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)

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)

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

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

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)

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.

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)

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.

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)

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools.

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

DegCre generates associations between differentially expressed genes (DEGs) and cis-regulatory elements (CREs) based on non-parametric concordance between differential data. The user provides GRanges of DEG TSS and CRE regions with differential p-value and optionally log-fold changes and DegCre returns an annotated Hits object with associations and their calculated probabilities. Additionally, the package provides functionality for visualization and conversion to other formats.

Nallo is a bioinformatics analysis pipeline for long-reads from both PacBio and (targeted) ONT-data, focused on rare-disease. The pipeline detects a wide range of genetic variants, performs genome assembly, and reports CpG methylation. It also enables annotation and ranking of variants based on their predicted functional consequences.

Fast sample-swap and relatedness checks on BAMs/CRAMs/VCFs/GVCFs.

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.

Cell Set Overlap Analysis (CSOA) is a tool for calculating per-cell gene signature scores in an scRNA-seq dataset. CSOA constructs a set for each gene in the signature, consisting of the cells that highly express the gene. Next, all overlaps of pairs of cell sets are computed, ranked, filtered and scored. The CSOA per-cell score is calculated by summing up all products of the overlap scores and the min-max-normalized expression of the two involved genes. CSOA can run on a Seurat object, a SingleCellExperiment object, a matrix and a dgCMatrix.

BacSelect is a reproducible resource for selecting compact, nested panels of complete bacterial genome assemblies that span genome architecture. From a defined and versioned public genome universe, BacSelect deterministically selects assemblies so users can choose a panel size from N=10–500 while retaining nestedness across scales. Versioned releases provide genome-panel manifests, downloadable assemblies, structural-coverage information, checksums and provenance for reproducible benchmarking, method development and comparative genomics.

A python extension, written in C, for quick access to bigBed files and access to and creation of bigWig files.

Ultra-fast, sensitive search and clustering suite for protein and nucleotide sequence sets.

A seamless interface to the MEME Suite family of tools for motif analysis. 'memes' provides data aware utilities for using GRanges objects as entrypoints to motif analysis, data structures for examining & editing motif lists, and novel data visualizations. 'memes' functions and data structures are amenable to both base R and tidyverse workflows.

Python wrapper for [samtools](https://github.com/samtools/samtools).

Predicts transcription factor binding sites in up to 316 vertebrate species by scoring JASPAR matrices against Ensembl promoter sequences and combining the match with seven contextual experimental datapoints, including evolutionary conservation, CAGE-defined transcription start sites, eQTLs, ChIP-seq peaks, ATAC-seq accessibility, DNase footprints and gene expression correlation, into a single score per site.

Save Bioconductor data structures into file artifacts, and load them back into memory. This is a more robust and portable alternative to serialization of such objects into RDS files. Each artifact is associated with metadata for further interpretation; downstream applications can enrich this metadata with context-specific properties.

Text-space optimizer that treats agent skill documents as trainable parameters for frozen LLMs, using scored rollouts and held-out validation gates to iteratively improve reusable natural-language skills; includes SkillOpt-Sleep for nightly self-evolution and improves accuracy across Claude Code, Codex, Copilot, and direct-chat harnesses, making it a meta-tool for evolving scientific agent skill workflows (15.5K+ stars, MIT License, PyPI)

Visualization intermediate language that lets AI agents create expressive, polished charts from simple, human-editable specs, compiling the same input to 30+ chart types across Vega-Lite, ECharts, and Chart.js with an MCP server for agent integration (1.9K+ stars, MIT License, 2026)

GlycoDash is an R Shiny dashboard for processing glycomics data obtained from LaCyTools, SweetSuite and Skyline.

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

First fully customizable open-source multiagent framework automating complete research lifecycle from idea conception to LaTeX papers with dynamic workflows