Find open-source science resources

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.

A quality control tool for high throughput sequence data.

NVIDIA and King's College London's open-source AI toolkit for healthcare imaging, providing foundational frameworks for medical image annotation (MONAI Label), training (MONAI Core), and deployment (MONAI Deploy) across radiology, pathology, and endoscopy (8K+ stars, Apache 2.0)

Curated, multilingual library of 182 installable AI agent skills for end-to-end academic research spanning literature discovery, scientific writing, grant development, bioinformatics, drug discovery, clinical research, machine learning, and data analysis (779+ stars, MIT License, 2026)

'tidySingleCellExperiment' is an adapter that abstracts the 'SingleCellExperiment' container in the form of a 'tibble'. This allows *tidy* data manipulation, nesting, and plotting. For example, a 'tidySingleCellExperiment' is directly compatible with functions from 'tidyverse' packages `dplyr` and `tidyr`, as well as plotting with `ggplot2` and `plotly`. In addition, the package provides various utility functions specific to single-cell omics data analysis (e.g., aggregation of cell-level data to pseudobulks).

Transcript quantification import from Salmon and other quantifiers with automatic attachment of transcript ranges and release information, and other associated metadata. De novo transcriptomes can be linked to the appropriate sources with linkedTxomes and shared for computational reproducibility.

Estimate variance-mean dependence in count data from high-throughput sequencing assays and test for differential expression based on a model using the negative binomial distribution.

JCVI is a versatile toolkit for comparative genomics analysis. It is a collection of Python libraries to parse bioinformatics files, or perform computation related to assembly, annotation, and comparative genomics.

Principle-first scientific idea discovery framework that extracts reusable principles from public literature and private research materials, composes them into traceable Idea Cards with prior-art comparisons, and exports validation-ready research packs; emphasizes inspectable scientific objects, risk disclosure, and falsification paths (ICML 2026, 411+ stars, MIT License)

High-performance ML research

A tabular style data object where most data is stored outside main memory. A buffer is used to speed up access to data.

A package that extends and improves the functionality of the base affy package. Routines that make heavy use of compiled code for speed. Central focus is on implementation of methods for fitting probe-level models and tools using these models. PLM based quality assessment tools.

Routines for parsing Affymetrix data files based upon file format information. Primary focus is on accessing the CEL and CDF file formats.

A library of core preprocessing routines.

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

Molecular dynamics in JAX

A data model for managing information about chemical entities, ranging from atoms through molecules to complex mixtures.

Open-source implementation of AlphaEvolve's evolutionary coding agent paradigm, enabling LLMs to autonomously discover and optimize algorithms through iterative evolution, matching the approach behind DeepMind's breakthrough matrix multiplication discovery (6.2K+ stars, 2025)

Foundation AutoResearch Operating System: blueprint-driven runtime for orchestrating AI research workflows from idea generation and experiments to paper writing and peer review (OpenNSWM-Lab, 2.4K+ stars, 2026)

Coordinate-based genomic visualization package for R. It grants users the ability to programmatically produce complex, multi-paneled figures. Tailored for genomics, plotgardener allows users to visualize large complex genomic datasets and provides exquisite control over how plots are placed and arranged on a page.

Comprehensive Claude Code skill suite covering the full academic pipeline from deep research and paper writing to multi-perspective peer review, revision, and finalization; features multi-agent teams, PRISMA systematic review, style calibration, claim-level citation audits, integrity gates, and human-in-the-loop safeguards (38K+ stars, CC BY-NC 4.0, 2026)

Official Jupyter extension with `%%ai` magic commands and sidebar chat assistant, connecting multiple model providers and local inference

102 executable tasks from 44 peer-reviewed papers across 4 disciplines with containerized evaluation

Scikit-learn compatible tabular foundation model for zero-shot classification and regression on mixed-type tabular datasets via in-context learning; applicable to diverse scientific datasets (1.8K+ stars, Apache 2.0)

Provides a high-level R interface to CoreArray Genomic Data Structure (GDS) data files. GDS is portable across platforms with hierarchical structure to store multiple scalable array-oriented data sets with metadata information. It is suited for large-scale datasets, especially for data which are much larger than the available random-access memory. The gdsfmt package offers the efficient operations specifically designed for integers of less than 8 bits, since a diploid genotype, like single-nucleotide polymorphism (SNP), usually occupies fewer bits than a byte. Data compression and decompression are available with relatively efficient random access. It is also allowed to read a GDS file in parallel with multiple R processes supported by the package parallel.

Diffusion-based generative model for inorganic materials design, steering generation by chemistry, symmetry, bulk modulus, band gap, or magnetic properties, 2× more likely to produce stable novel structures than prior methods, experimentally validated with synthesized TaCr₂O₆ (Microsoft, Nature 2025)

Assay for Transpose-Accessible Chromatin using sequencing (ATAC-seq) is a technique to assess genome-wide chromatin accessibility by probing open chromatin with hyperactive mutant Tn5 Transposase that inserts sequencing adapters into open regions of the genome. ATACseqTFEA is an improvement of the current computational method that detects differential activity of transcription factors (TFs). ATACseqTFEA not only uses the difference of open region information, but also (or emphasizes) the difference of TFs footprints (cutting sites or insertion sites). ATACseqTFEA provides an easy, rigorous way to broadly assess TF activity changes between two conditions.

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.

The gEAR portal is a website for visualization and analysis of multi-omic data both in public and private domains.

High-accuracy RAG for scientific PDFs with citation support, agentic RAG, and contradiction detection

METPO (Microbial Ecophysiological Trait and Phenotype Ontology) provides standardized terms for describing microbial phenotypes, growth characteristics, and culture conditions. It includes classes for growth media, temperature tolerances, pH tolerances, and relationships like "grows in" and "does not grow in".

A python-based workflow manager.

Reinforcement-learning-trained AI agent for treatment reasoning over a universe of 212 biomedical tools, performing multi-step evidence gathering and spawning parallel reasoning branches to reach evidence-grounded clinical decisions (55+ stars, MIT License, 2026)

PinPath enables flexible visualization of (omics) data onto pathways diagrams, allowing users to pinpoint where the relevant changes occur. It supports pathway diagrams from WikiPathways and KEGG, as well as custom GPML and KGML files. Data can be displayed on both native pathway layouts and network representations

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)

This package provides functionality to combine the existing pieces of the transcriptome data and results, making it easier to generate insightful observations and hypothesis. Its usage is made easy with a Shiny application, combining the benefits of interactivity and reproducibility e.g. by capturing the features and gene sets of interest highlighted during the live session, and creating an HTML report as an artifact where text, code, and output coexist. Using the GeneTonicList as a standardized container for all the required components, it is possible to simplify the generation of multiple visualizations and summaries.

Curated list of atomistic ML projects for materials science

GlycoTraitR is an R package for analyzing glycoproteomics data, particularly glycopeptide-spectrum matches (GPSMs). It supports results generated by the pGlyco3 and Glyco-Decipher search engines. The package parses glycan structures, computes monosaccharide compositions and structural traits, and performs differential analysis of glycan heterogeneity. It constructs trait-by-PSM matrices stored in a SummarizedExperiment object, supports user-defined structural motifs, and provides visualization utilities for interpreting glycan trait changes.

Biological simulation tools

Medical Subject Headings vocabulary is the set of predicates used in the MeSH RDF dump

Differentiable PDE solving framework for machine learning with built-in fluid simulation, supporting PyTorch/JAX/TensorFlow backends and enabling neural network training within physical simulations (TUM, MIT License)

Inflexa is an open-source, agentic orchestration platform for computational biology and translational medicine. It is designed to assist researchers in analyzing multi-omics, cheminformatics, and imaging data by reading published literature, designing multi-step analysis plans, and executing experiments with full reproducibility.

Flow-based generative model for atomistic protein binder design with test-time optimization, SOTA on binder benchmarks (ICLR 2026 Oral, NVIDIA)

Latent-space probabilistic denoising diffusion model for predicting coarse-grained conformational ensembles of intrinsically disordered proteins and regions from sequence, with GPU/CPU inference, trajectory export, and FAISS-based similarity search (67+ stars, LGPL-3.0)

JavaScript genome browser that is highly customizable via plugins and track customizations.

First scientific ML benchmark with paired real-world measurements and matched numerical simulations for complex physical systems, featuring 5 scenarios, 700+ trajectories, 10 baseline models, and 9 evaluation metrics with HuggingFace datasets and model checkpoints (Westlake University, CC BY-NC 4.0)

Provides a graphical user interface to integrate, visualize and explore results from linkage and quantitative trait loci analysis, together with genomic information for autopolyploid species. The app is meant for interactive use and allows users to optionally upload different sources of information, including gene annotation and alignment files, enabling the exploitation and search for candidate genes in a genome browser. In its current version, 'VIEWpoly' supports inputs from 'MAPpoly', 'polymapR', 'diaQTL', 'QTLpoly', 'polyqtlR', 'GWASpoly', and 'HIDECAN' packages.

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)