Find open-source science resources

HealthGPT-LoRA is a biomedical question-answering model built by fine-tuning Meta Llama 3.2 3B Instruct using QLoRA (PEFT) on the PubMedQA dataset.

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.

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.

ProtSent-V2 35M plus one more contrastive pass on a fresh draw of the corpus, with a DMS/ProteinGym CoSENT target and a Global Orthogonal Regularization term added.

PyTorch domain library for geospatial deep learning providing standardized datasets, samplers, transforms, and pre-trained models for remote sensing, land cover mapping, and environmental monitoring (Microsoft, 4K+ stars)

dadi is a bioinformatics tool for inferring demographic history and selection from genetic data using diffusion approximations, offering speed and flexibility in modeling population dynamics. It supports up to three populations with customizable parameters and provides efficient computational performance.

Neuro-imaging file formats.

Python package for segmenting geospatial data with the Segment Anything Model (SAM), enabling zero-shot object segmentation in satellite and aerial imagery for remote sensing and Earth observation (MIT, 4k+ stars)

Scalable genomic analysis.

MCP server enabling spatial transcriptomics analysis via natural language, integrating 60+ methods including SpaGCN, Cell2location, LIANA+, CellRank for Visium, Xenium, MERFISH platforms

Probabilistic framework for inferring cell fate decisions and trajectory dynamics from multi-view single-cell data using Markov chains and machine learning, integrating RNA velocity, pseudotime, and metabolic labeling to predict differentiation paths and terminal states (scverse/Theis Lab, 449+ stars, BSD 3-Clause)

Microsoft AI for Good Lab's open-source biodiversity research hub providing AI models, edge devices, and tools for wildlife monitoring and conservation, including MegaDetector (camera trap animal detection), SPARROW (species recognition), PytorchWildlife (conservation AI toolkit), and bioacoustics analysis pipelines (1K+ stars)

Research coding benchmark curated by scientists with 338 subproblems across 16 subdomains (physics, math, materials, biology, chemistry), evaluating LLMs on realistic scientific programming tasks with gold-standard solutions (NeurIPS 2024)

The HGVS Nomenclature is an internationally-recognized standard for the description of DNA, RNA and protein sequence variants. It is used to convey variants in clinical reports and to share variants in publications and databases. The HGVS Nomenclature is administered by the [HGVS Variant Nomenclature Committee (HVNC)](https://hgvs-nomenclature.org/stable/hvnc/) under the auspices of the [Human Genome Organization (HUGO)](https://hugo-int.org/).

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

A DINOv2 ViT-S/14-reg fine-tuned so that an image of a molecular structure diagram embeds where its molecule embeds in the frozen MIST-28M embedding space. Objective: smooth-L1 regression onto the frozen target, no negatives (the JEPA move).

A DINOv2 ViT-S/14-reg fine-tuned so that an image of a molecular structure diagram embeds where its molecule embeds in the frozen MIST-28M embedding space. Objective: SigLIP sigmoid pairwise loss.

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)

ReviewAid is an open-source AI-assisted tool for full-text screening and data extraction in systematic reviews. It supports evidence synthesis workflows by using large language models to classify articles according to user-defined PICO criteria and extract structured information from full-text publications. ReviewAid is designed as a supplementary reviewer rather than a replacement for human judgement. It aims to reduce manual workload, improve consistency, and assist researchers during screening and data extraction while maintaining human oversight throughout the evidence synthesis process.

PyTorch toolkit for deep neural networks in atomistic simulations, implementing SchNet, DimeNet++, PaiNN, and GemNet for molecular dynamics and quantum chemistry (900+ stars)

NOS-TLPlot is an open-source tool for visualizing Newcastle–Ottawa Scale (NOS) risk-of-bias assessments in systematic reviews. It converts NOS star ratings into publication-ready traffic-light plots and 12 specialized visualizations, enabling reviewers and readers to interpret study-level risk-of-bias results clearly and reproducibly.

RejuvenationKit is an open-source Python toolkit for reproducible auditing and analysis of longitudinal preclinical rejuvenation studies. It provides protocol-aware missingness checks, experimental-confounding diagnostics, attrition and analysis-readiness profiling, covariance-aware multichannel change detection, sequential response monitoring, randomized longitudinal inference, visualization, and integrity-tracked report bundles.

AI coding agent skills for KiCad electronics design that turn Claude Code, Codex, Gemini CLI, and other coding agents into full electronics design assistants; parses schematics and PCB layouts, builds power trees, audits connectors/ESD protection, validates passive networks, runs SPICE simulation, sources components from major distributors, and prepares boards for fabrication (aklofas, 974+ stars, MIT License, 2026)

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)

Python library for blazing-fast genomic interval operations and genomic file formats I/O on Polars DataFrames

The DCAT-AP conversion to a LinkML Schema is the intended point of truth for the DCAT-AP+ schema, but could be used alternatively as a LinkML representation of DCAT-AP for other Projects. It is a port of DCAT-AP to the LinkML world that is as faithful to the original as possible. This Persistent Identifier does not only provide the SHACL Shape, but could also be used as described [here](https://github.com/perma-id/w3id.org/tree/cecbc2e5f40d928f05ed5306d24fc60db0e7bb21/nfdi-de/dcat-ap-plus). DCAT-AP+ is a [LinkML](https://linkml.io/)-based extension of the [DCAT Application Profile 3.0](https://semiceu.github.io/DCAT-AP/releases/3.0.0/) that adds a provenance layer for describing how a dataset was generated and what it is about, using the [Starting Point Terms of PROV-O](https://www.w3.org/TR/prov-o/#description-starting-point-terms), the [QUDT ontology](https://www.qudt.org/), and [Dublin Core Terms](http://purl.org/dc/terms/).

A toolkit for visualizations in materials informatics.

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)

Contrastively fine-tuned ESM-2 150M producing fixed-length protein embeddings where biological similarity maps to embedding proximity. Intended for retrieval, clustering, and nearest-neighbour transfer.

Ontology representation of the [International Committee on Taxonomy of Viruses (ICTV)](https://ictv.global/) for the [EVORA project](https://evora-project.eu/)

Graph neural network library for PyTorch enabling molecular modeling, materials discovery, protein interaction networks, and scientific knowledge graph learning (23.7k+ stars)

Meta's comprehensive ML ecosystem for materials/chemistry with 118M+ DFT calculations, EquiformerV2 models achieving top Matbench Discovery performance

PyTorch-based embedding instance segmentation algorithm optimized for accurate, efficient, and portable cell and nucleus segmentation across fluorescence and brightfield microscopy images, achieving state-of-the-art speed and accuracy with lightweight model sizes suitable for edge deployment (224+ stars, Apache 2.0)

Toolbox for comparative genomics of MAGs

A library for processing, analyzing and modeling spectroscopic data.

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)

Unified Python framework for extracellular electrophysiology, standardizing interfaces to 10+ ML-based spike sorting algorithms including Kilosort for reproducible neural spike sorting workflows (792+ stars, actively maintained)

PseudoScope is an automated, locally-executable computational pipeline designed specifically for comprehensive Pseudomonas aeruginosa genomic surveillance. It integrates seven essential analysis modules into a single, cohesive workflow: FASTA QC (assembly quality metrics), MLST (Oxford scheme), PAST serotyping (O-antigen typing), AMRFinderPlus (antimicrobial resistance gene detection), ABRicate (multi-database screening for resistance, virulence, plasmids, biocides), Ultimate Reporter (gene-centric integration with interactive HTML), and Visualisation Dashboard (publication-ready interactive plots including PCA, networks, boxplots). PseudoScope runs entirely locally (or on HPC clusters), protects data privacy, and produces beautiful interactive reports in minutes.

Kleboscope is an automated, locally‑executable computational pipeline designed specifically for comprehensive Klebsiella pneumoniae genomic surveillance. It addresses the growing threat of multidrug‑resistant and hypervirulent K. pneumoniae by integrating eight essential analysis modules into a single, cohesive workflow. Kleboscope offers two complementary report views: Gene‑centric – each gene is shown with all genomes that contain it, together with its frequency, enabling rapid cross‑genome pattern discovery; and Sample‑centric – each isolate gets its own interactive box with typing badges (MLST, K‑locus, O‑locus, hypervirulence), per‑database tables (AMR, Virulence, BACMET, Plasmids), and full mutation details – perfect for clinical reports and patient‑level investigations.

A Python script that converts positional information from a SAM dataset into interval format with 0-based start and 1-based end. CIGAR string of SAM format is used to compute the end coordinate.

A two-step desktop GUI application for RNA-seq differential gene expression (DEG) analysis. Step 1 reads raw GDC/TCGA STAR gene-count files together with a GDC sample sheet, matches samples to a Tumor/Normal design, and runs PyDESeq2 to produce normalized counts and DEG statistics. Step 2 generates publication-style volcano plots, MA plots, summary bar charts, and expression heatmaps (with optional gene labeling) from the results, exportable as PNG, PDF, SVG, or TIFF. Requires no coding from the user.

AI coding assistant for JupyterLab with agent mode, supporting arbitrary LLM providers (2025+)

Agent-agnostic research infrastructure providing AI agents with a structured scientific workspace for deep PDF parsing, hybrid semantic/keyword literature search, citation-graph analysis, topic discovery, and academic writing workflows; natively integrates with Claude Code, Codex, Cursor, Cline, and AgentSkills.io (530+ stars, MIT License, 2026)

Non-invasive decoding of typed sentences from MEG and EEG brain recordings using a convolutional encoder, transformer, and character-level language model; official code for the Nature Neuroscience paper and Meta blog post on brain-AI communication (Meta FAIR, 894+ stars, CC BY-NC 4.0, 2026)