Find open-source science resources

High-Throughput Molecular Dynamics: Programming Environment for Molecular Discovery.

First bioinformatics-native AI agent skill library enabling local-first, reproducible genomic and population-genetics research workflows built on OpenClaw (871+ stars, MIT License, 2026)

PanAbyss is a tool for exploring and visualizing pangenome graphs. It allows users to search for and display regions of a pangenome using coordinates on a reference individual or based on annotations. It also enables searching for regions associated with a selected set of individuals (for example, those linked to a phenotype), computing proximity trees, and retrieving sequences from a given region.

Machine learning in Julia

Molecular dynamics analysis

Probabilistic programming

ImageArray provides a framework for on-disk and in-memory image arrays, specifically for pyramidal images stored in HDF5, Zarr and life sciences image file formats (OME Bio-Formats).

Curated collection of 23,000+ agent skills for empirical research across 8 social science disciplines, enabling reproducible social science research with AI agents (Stanford REAP & CoPaper.AI, 1.1K+ stars, 2026)

Human-centered research OS with terminal-first harness and local browser Studio, turning research work into reproducible artifact-backed runs through a 9-stage workflow with human approval gates, resume/rollback controls, and venue-aware manuscript packaging (1K+ stars, 2026)

Python Library for Automating Molecular Simulation: input preparation, job execution, file management, output processing and building data workflows.

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)

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)

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)

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.

AI-powered note linking and research graph navigation

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

A vocabulary used in tandem with SHACL for representing node shapes

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)

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

A library for processing, analyzing and modeling spectroscopic data.

Chemical Information from the Web.

Acausal modeling framework for automatically parallelized scientific machine learning (1.5k+ stars)

Scientific Computing for Chemists with Python is a Jupyter book teaching basic python in chemistry skills, including relevant libraries, and applies them to solving chemical problems.

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)

Python Materials Genomics: robust materials analysis library defining classes for structures and molecules with support for many electronic structure codes; foundational toolkit powering the Materials Project (Berkeley Lab, 1.8K+ stars)

A package to 'build' collections of materials properties from the output of computational materials calculations.

Library of descriptors to aid in the data-mining of materials properties, created by the Lawrence Berkeley National Laboratory.

197 bioinformatics and life science skills for Claude Code and AI agents, achieving 92.0% accuracy on BixBench. Covers RNA-seq, single-cell analysis, drug discovery, proteomics, and more. Powers OmicsHorizon (195+ stars, 2026)

Chemical reaction network and systems biology interface for scientific machine learning (SciML), enabling high-performance, GPU-parallelized simulation and analysis of complex biochemical systems with O(1) solvers (SciML, 518+ stars, Julia)

Differentiable tokamak core transport simulator for fusion energy research, coupling PDE solvers with JAX auto-differentiation and neural-network surrogates for fast forward modelling, pulse-design, and trajectory optimization (Google DeepMind, Apache 2.0)

First open-source agentic AI physicist turning research questions into structured workflows with rigorous verification and multi-step analytical work for long-horizon physics projects; integrates with Claude Code, Codex, Gemini CLI, and OpenCode (804+ stars, Apache 2.0, 2026)

Curated collection of 23,000+ agent skills for empirical research across 8 social science disciplines, enabling reproducible social science research with AI agents (Stanford REAP & CoPaper.AI, 3K+ stars, 2026)

Freely available tools for biological computing in Python, with included cookbook, packaging and thorough documentation. Part of the [Open Bioinformatics Foundation](http://open-bio.org/). Contains the very useful [Entrez](https://biopython.org/DIST/docs/api/Bio.Entrez-module.html) package for API access to the NCBI databases.

Composable computational-science methodology skills for AI research agents emphasizing pre-registration, reproducible workspaces, and red-team review to guard against p-hacking and HARKing; zero third-party dependencies and runs with any agent harness plus a POSIX shell (281+ stars, MIT License, 2026)

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)

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.

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.

A molecule manipulation library.

RFdiffusion is an open source method for structure generation, with or without conditional information (a motif, target etc).

A compressor of common genomic file formats (BAM, CRAM, FASTQ, VCF etc).

the wavefront alignment algorithm (WFA) which expoit sequence similarity to speed up alignment

atomate2 is a library of computational materials science workflows.

The Data Privacy Vocabulary provides an ontology (classes and properties) and taxonomies of concepts to represent information regarding how personal data is processed in the form of an ontology or a knowledge graph.

Oxford Nanopore's official deep-learning basecaller for nanopore sequencing, converting raw electrical signals into DNA/RNA sequences with integrated modified-base (methylation) detection and efficient CPU/GPU inference; foundational tool for long-read genomics, epigenetics, and real-time sequencing analysis (nanoporetech, 846+ stars, actively maintained)

Physics-informed neural networks in Julia

Ontologies that aim to provide semantic specifications for units of measure, quantity kind, dimensions and data types.