Find open-source science resources
A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.
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BioTools is a registry of databases and software with tools, services, and workflows for biological and biomedical research.
Deep learning-based multi-animal pose tracking and behavior classification, enabling automated quantification of social interactions and collective behavior across species (Nature Methods 2022, 2.2K+ stars)
Python Library for Automating Molecular Simulation: input preparation, job execution, file management, output processing and building data workflows.
SO is a collaborative ontology project for the definition of sequence features used in biological sequence annotation. It is part of the Open Biomedical Ontologies library.
Multimodal AI system generating virtual populations for tumor microenvironment modeling from H&E and multiplex immunofluorescence pathology images, enabling large-scale spatial analysis of cancer biology and therapeutic response prediction (Microsoft Research & Providence, 370+ stars)
Foundation model for tabular data that predicts on unseen real-world tables in a single forward pass, achieving accurate small-data classification and regression without task-specific training; widely applicable to scientific datasets with limited samples (7.4K+ stars, 2022-2026)
EMMO is a multidisciplinary effort to develop a standard representational framework (the ontology) for applied sciences. It is based on physics, analytical philosophy and information and communication technologies. It has been instigated by materials science to provide a framework for knowledge capture that is consistent with scientific principles and methodologies. (from GitHub)
The Chromatograms packages defines an efficient infrastructure for storing and handling of chromatographic mass spectrometry data. It provides different implementations of *backends* to store and represent the data. Such backends can be optimized for small memory footprint or fast data access/processing. A lazy evaluation queue and chunk-wise processing capabilities ensure efficient analysis of also very large data sets.
Provides a collection of additional compression filters for HDF5 datasets. The package is intended to provide seamless integration with rhdf5, however the compiled filters can also be used with external applications.
Library for fast calculations of **mo**lecula**r** **fe**at**u**re**s** from 3D structures for machine learning with a focus on steric descriptors.
High-accuracy PDF→Markdown/JSON/HTML conversion, specialized for tables/formulas/code blocks with benchmark scripts
SpNeigh provides methods for neighborhood-aware analysis of spatial transcriptomics data. It supports boundary detection, spatial weighting (centroid- and boundary-based), spatially informed differential expression using spline-based models, and spatial enrichment analysis via the Spatial Enrichment Index (SEI). Designed for compatibility with Seurat objects, SpatialExperiment objects and spatial data frames, SpNeigh enables interpretable, publication-ready analysis of spatial gene expression patterns.
OEO is a domain reference ontology for energy system modeling.
The package provides `rlang` data masks for the SummarizedExperiment class. The enables the evaluation of unquoted expression in different contexts of the SummarizedExperiment object with optional access to other contexts. The goal for `plyxp` is for evaluation to feel like a data.frame object without ever needing to unwind to a rectangular data.frame.
ECMWF's unified framework and command-line tool to run AI-based weather forecasting models (GraphCast, Aurora, Pangu, NeuralGCM, FourCastNet) with operational ECMWF data infrastructure, enabling standardized inference and benchmarking across state-of-the-art meteorological AI systems (ECMWF, 576+ stars)
Parsers and algorithms for computational chemistry logfiles.
Official MathWorks toolkit connecting AI agents to MATLAB via the MATLAB MCP Server and curated skills, enabling trusted engineering and scientific computing workflows with idiomatic code generation, testing, and error diagnosis in Claude Code, GitHub Copilot, OpenAI Codex, and Gemini CLI (686+ stars, BSD-3-Clause, 2026)
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)
linkset-automation is a set of tools to automatically generates CyTargetLinker linksets from different resources, starting with WikiPathways.
GlycoDash is an R Shiny dashboard for processing glycomics data obtained from LaCyTools, SweetSuite and Skyline.
The AnVIL is a cloud computing resource developed in part by the National Human Genome Research Institute. The main cloud-based genomics platform deported by the AnVIL project is Terra. The AnVILWorkflow package allows remote access to Terra implemented workflows, enabling end-user to utilize Terra/ AnVIL provided resources - such as data, workflows, and flexible/scalble computing resources - through the conventional R functions.
The VISTA (Visualization and Integrated System for Transcriptomic Analysis) platform streamlines differential expression workflows by wrapping DESeq2 and edgeR into a SummarizedExperiment-based container with consistent metadata. The package includes visualization utilities, MSigDB enrichment helpers, and optional deconvolution support to simplify interactive exploration of RNA-seq experiments.
An _gentle_ implementation of the Unified Foundational Ontology (UFO), which is an upper level ontology like BFO that is concerned with e.g. expressing temporal relationships between events.
A RDF vocabulary for OER content on the web.
Converts Protein Data Bank structures into 3D-printable models. Each polymer chain is meshed separately and written as a named object in a single 3MF file, so a multi-material printer can assign one filament per chain. Protein chains can be rendered as a solvent-excluded surface, a cartoon, or a backbone tube; nucleic acids as a tube-and-rung form with the strands of a duplex welded at every base pair. Press-fit magnet pockets are optionally placed at chain interfaces, so a complex comes apart where its subunits actually meet. All meshes are checked for watertightness before export.
Lean 4 formalizations of ten major advances in mathematics and theoretical computer science, including improved sphere-packing bounds, non-sofic groups, a counterexample to Connes's rigidity conjecture, and quantum parallel repetition; released with the OpenAI paper and reasoning walkthroughs (57+ stars, Apache 2.0)
PyTorch-based differentiable programming framework for physics-informed system identification, parametric constrained optimization, and model predictive control, integrating neural operators, neural ODEs, KANs, SINDy, and differentiable predictive control with 30+ tutorials (1.3k+ stars, BSD License)
A flexible pipeline, built with Nextflow, for the complete analysis of bacterial genomes.
High level functions to assist in annotation of (metabolomics) data sets. These include functions to perform simple tentative annotations based on mass matching but also functions to consider m/z and retention times for annotation of LC-MS features given that respective reference values are available. In addition, the function provides high-level functions to simplify matching of LC-MS/MS spectra against spectral libraries and objects and functionality to represent and manage such matched data.
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.
Lineagespot is a framework written in R, and aims to identify SARS-CoV-2 related mutations based on a single (or a list) of variant(s) file(s) (i.e., variant calling format). The method can facilitate the detection of SARS-CoV-2 lineages in wastewater samples using next generation sequencing, and attempts to infer the potential distribution of the SARS-CoV-2 lineages.
ProSeqGO predicts Gene Ontology (GO) terms for protein sequences using ESM2 embeddings and a trained 1-Dimensional Convolutional Neural Network multi-label classifier. By integrating recent advances in protein language models, ProSeqGO facilitates large-scale, automated functional annotation directly from sequence input, empowering researchers to infer protein function, explore biological mechanisms, and accelerate discovery in genomics and proteomics.
Robust deep learning-based segmentation of >100 anatomical structures in CT and MR images, built on nnU-Net and widely adopted in clinical radiology and surgical planning workflows (2.6K+ stars)
Open-source, local-first, model-agnostic AI research workbench for reproducible scientific discovery; runs Python/R notebooks, searches the web, calls scientific data connectors, and produces inspectable reports, tables, and figures in a self-hosted desktop workspace (1.5K+ stars, Apache 2.0, 2026)
Machine learning toolkit for many-body quantum systems, implementing neural quantum states, variational Monte Carlo, and tensor network algorithms to solve ground-state and dynamical problems in condensed matter physics and quantum chemistry (EPFL & collaborators, Nature Physics 2019/2022+, 670+ stars)
Fast, differentiable, JIT-free finite element library for PyTorch enabling GPU-native PDE solving with native autograd, tensorized assembly, and sparse linear algebra; part of the TensorGalerkin framework (218+ stars, Apache 2.0)
Provides with toolkits to implement a full singIST analysis with pseudobulked Seurat objects of disease models and human data.
An ultrafast protein aligner for `blastp` and `blastx` like searches.
Production-grade ETL for transforming complex documents into structured formats, with open-source API
Python computational framework for analysis of single-molecule FRET data
Scalable toolkit for analyzing single-cell gene expression data, including preprocessing, visualization, clustering, and trajectory inference.
mia implements tools for microbiome analysis based on the SummarizedExperiment, SingleCellExperiment and TreeSummarizedExperiment infrastructure. Data wrangling and analysis in the context of taxonomic data is the main scope. Additional functions for common task are implemented such as community indices calculation and summarization.
lcmsPlot is an R package designed for visualising Liquid Chromatography-Mass Spectrometry (LC-MS) data with publication-ready high-quality plots. The package enables users to generate and customise chromatograms, mass traces, spectra, and more with fine-tuned aesthetics and annotation options.
Voc4Cat is a [SKOS](https://www.w3.org/TR/2009/REC-skos-reference-20090818/) vocabulary for the catalysis disciplines. The vocabulary was created in the [NFDI4Cat](http://www.nfdi4cat.org/) initiative. The first collection of terms was published in June 2023 with a focus on photo catalysis. Our goal is to continuously extend the vocabulary to other areas of catalysis and related disciplines like chemical engineering or materials science.
Open-source LLM-powered R&D agent framework automating data-driven AI solution building through automated research, development, and evolution; achieves top open-source performance on MLE-Bench with dual Researcher-Developer agents and supports research copilot, data mining, Kaggle, and quant R&D workflows (13.6K+ stars, MIT License, 2025-2026)
Analysis of molecular dynamics trajectories.
SAMtools and BCFtools are widely used programs for processing and analysing high-throughput sequencing data. They include tools for file format conversion and manipulation, sorting, querying, statistics, variant calling, and effect analysis amongst other methods.
Functions, workflow, and a Shiny application for visualizing sequence conservation and designing degenerate primers, probes, and (RT)-(q/d)PCR assays from a multiple DNA sequence alignment. The results can be presented in data frame format and visualized as dashboard-like plots. For more information, please see the package vignette.