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Awesome Physical AI for Science 🧬🤖

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A curated collection of resources for Physical AI for Science — where robotics, laboratory automation, and AI agents converge to accelerate scientific discovery.

Physical AI for Science represents the integration of embodied intelligence (robots, automated instruments, sensors) with AI-driven decision-making to create autonomous or semi-autonomous scientific research systems. This includes self-driving laboratories, robotic experimentation, AI-guided experimental design, and multi-agent systems for scientific workflows.

Key Themes: Self-Driving Labs · Lab Automation · AI Agents for Science · Robotic Experimentation · Closed-Loop Discovery · Digital Workers for Research


Contents


📋 Surveys & Reviews

Paper Venue Year Highlights
From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery arXiv 2025 Most comprehensive survey on agentic scientific discovery
Autonomous 'self-driving' laboratories: a review of technology and policy implications Royal Society Open Science 2025 Comprehensive SDL review + policy framework
Self-Driving Laboratories for Chemistry and Materials Science Chemical Reviews 2024 Definitive survey of SDLs
AI, agentic models and lab automation for scientific discovery — the beginning of scAInce Frontiers in AI 2025 Agent AI + lab automation convergence
Science acceleration and accessibility with self-driving labs Nature Communications 2025 SDL accessibility & democratization
Autonomous laboratories for accelerated materials discovery: a community survey Digital Discovery 2024 Community-driven practical insights
The future of self-driving laboratories: from human in the loop interactive AI to gamification Digital Discovery 2024 Human-in-the-loop to full autonomy
Accelerating discovery in natural science laboratories with AI and robotics Science Robotics 2025 Perspectives & challenges
The Rise of Self-Driving Labs Optics & Photonics News 2025 Accessible overview of SDL field
Will self-driving 'robot labs' replace biologists? Nature News 2026 Debate on autonomous labs in biology
A Comprehensive Survey of AI Scientists Tsinghua 2025 Full pipeline AI scientist systems
The rise of self-driving labs Nature Synthesis 2023 Early perspective on SDL emergence
Leading AI-driven drug discovery platforms: 2025 landscape ScienceDirect 2025 Platform comparison for AI drug discovery

🧪 Self-Driving Lab Systems

Pioneering Systems

System Institution Domain Key Feature Reference
OpenAI + Ginkgo Bioworks OpenAI / Ginkgo Biology 🔥 GPT-5 + cloud lab, 36k experiments, 40% cost reduction in cell-free protein synthesis bioRxiv 2026
A-Lab LBNL Berkeley Materials Autonomous solid-state synthesis, 43 materials in 17 days Nature 2023
Coscientist CMU Chemistry GPT-4 + robotic synthesis, palladium cross-coupling Nature 2023
Mobile Robot Chemist U Liverpool Chemistry Autonomous mobile robots for exploratory synthesis Nature 2024
ORGANA U Toronto Chemistry Franka robot + LLM planning Matter 2024
Rainbow NC State / Multi-institution Nanomaterials Multi-robot SDL, parallelized nanocrystal synthesis Nature Comm 2025
DOLPHIN Fudan / Shanghai AI Lab General Science LLM generates ideas → experiments → evaluation → iteration ACL 2025
AutoLabs Multi-institution Chemistry Cognitive multi-agent with self-correction arXiv 2025
SDL for Nanophotonics Photonics Autonomous experimentation for spontaneous emission Nature Comm 2025
SDL for Solid-State Lasers Materials/Photonics Discovery of tunable organic emitters Nature Comm 2026
AI Enzyme Engineering Biology Generalized platform for autonomous enzyme engineering Nature Comm 2025
Flow-Driven SDL Materials 10× data intensification for materials discovery Nature Chem Eng 2025

⚠️ Note: The A-Lab Nature 2023 paper received a correction in January 2026, with some questions remaining about the claimed new materials.

Multi-Agent Scientific Systems

System Description Year Reference
MARS 19 LLM agents + 16 tools, hierarchical architecture for materials discovery 2026 Matter 2026 / phys.org
Robin First AI to autonomously discover and validate novel therapeutic candidate (ripasudil for dAMD) 2025 arXiv / FutureHouse
ChemAgents Task Manager + Literature Reader + Experiment Designer + Computation Performer + Robot Operator 2025 JACS 2025
Tippy Production-ready AI agents for DMTA cycle in drug discovery 2025 arXiv
Aleks Multi-agent autonomous discovery in plant science 2025 arXiv
VirSci Virtual scientists for Science of Science 2025 ACL 2025
OriGene Virtual disease biologist for therapeutic target discovery 2025 bioRxiv 2025
Agent Laboratory Literature review → experiment → report writing pipeline 2025 arXiv 2025

End-to-End AI Scientist Systems

System Description Achievement Reference
AI Scientist v1 End-to-end automated research pipeline Stars Sakana AI 2024
AI Scientist v2 Workshop-level automated discovery First AI-generated peer-reviewed paper (ICLR 2025 Workshop) arXiv 2025

⚠️ Independent evaluation (ACM SIGIR Forum 2025) found mixed results, noting some claims may be overstated.

🤖 Robotic Lab Platforms

Hardware Platforms

Platform Institution Description Link
MADSci Argonne National Lab Modular Autonomous Discovery for Science toolkit AD-SDL
LabClaw Stars Open-source AI infrastructure for scientific labs — 5-layer architecture with self-evolving agents GitHub
Polybot Center for Nanoscale Materials Self-driving lab for polymer science polybot-nexus
Opentrons Flex Opentrons Open-source liquid handling robots Opentrons
Chemspeed Chemspeed High-throughput automated synthesis Commercial
Mobile ALOHA Stanford Bimanual mobile manipulation for labs GitHub
ABB Robotics ABB AI-driven collaborative robots for labs SLAS 2026 Demo
Ginkgo Cloud Lab Ginkgo Bioworks Remote automated wet lab (robots execute experiments) ginkgo.bio

Orchestration Software

Platform Provider Description Link
Cellario HighRes Biosolutions 🔥 Agentic AI scheduling + orchestration for lab automation highres.com
FlexPod HighRes Configurable Lab Automation Platform highres.com
IvoryOS Drag-and-drop web interface for SDL workflow design Nature Comm 2025
AlabOS Python reconfigurable workflow management for SDL RSC Digital Discovery 2024

🔥 Breaking: HighRes + Opentrons partnership (Feb 2026) — Industry's first AI Agent-to-Agent lab automation workflow

🧠 AI Agents for Scientific Discovery

LLM-based Scientific Agents

Agent Focus Key Innovation Reference
GPT-5 Lab Agent Biology 🔥 Autonomous wet lab experiments via cloud lab, 36k experiments OpenAI 2026
ChemCrow Chemistry LLM + 18 chemistry tools integration arXiv 2023
SciAgents Materials Graph reasoning + multi-agent for materials design arXiv 2024
Lang-PINN Physics LLM builds Physics-Informed Neural Networks from natural language ICLR 2026
AI Scientist General End-to-end automated research pipeline Sakana AI 2024
OpenAI Deep Research General Autonomous multi-step research agent OpenAI 2025

Experiment Design & Active Learning

Tool Description Reference
Bayesian Optimization Standard for adaptive experimental design in SDLs Various
SEEK Scientific Exploration with Expert Knowledge for scanning probe microscopy Digital Discovery 2025
BOSS Bayesian Optimization Structure Search 2024

🔬 Domain-Specific Platforms

Drug Discovery & Life Sciences

Platform Type Description
Robin (FutureHouse) System First autonomous therapeutic candidate discovery (ripasudil for dAMD)
Insilico Medicine Company AI-driven end-to-end drug discovery
Owkin Company Multimodal clinical AI + federated learning
ConcertAI Company Real-world data + agentic AI for oncology
Hippocratic AI + Grove AI Company Agentic AI for pharma R&D and clinical trials
Causaly Company Knowledge graph + AI for life sciences
NVIDIA BioNeMo Framework Generative AI for drug discovery
AlphaFold 3 Tool Protein structure & interaction prediction
OpenFold3 Tool Open-source AlphaFold3 reimplementation
Boltz 2 Tool Open protein structure prediction

Materials Science

Platform Type Description
A-Lab Lab Autonomous materials synthesis (LBNL)
MARS System Multi-agent robotic system for materials (SIAT, CAS)
NVIDIA PhysicsNeMo Framework Open-source physics AI
Materials Project Database Open materials data + ML models
AFLOW Database Automatic FLOW for materials discovery

Chemistry

Platform Type Description
Coscientist System GPT-4 autonomous chemistry lab
RDKit Library Open-source cheminformatics
DeepChem Library Deep learning for molecular ML
IBM RXN Tool AI-powered retrosynthesis

Biology & Genomics

Platform Type Description
Ginkgo Cloud Lab Lab GPT-5 autonomous protein synthesis
AlphaFold DB Database 200M+ protein structures
UniProt Database Protein sequence and function
Hugging Face Bio Hub Bio ML models

Neuroscience

Platform Type Description
DeepLabCut Tool Markerless multi-animal pose estimation
SLEAP Tool Multi-animal pose tracking (top-down + bottom-up)
SpikeInterface Tool Unified spike sorting framework (10+ backends)
Suite2p Tool Two-photon calcium imaging pipeline
CaImAn Tool Calcium imaging analysis (CNMF, online)
MNE-Python Tool MEG/EEG analysis
PyNWB Standard Neurodata Without Borders file I/O
NeuroConv Tool 47+ formats → NWB conversion
Pynapple Tool Neural time series analysis
keypoint-MoSeq Tool Unsupervised behavioral syllable discovery
DataJoint Platform Scientific data pipeline management
DANDI Archive Database 790+ dandisets, open neuroscience data
Allen Brain Observatory Database Visual coding, connectivity atlas
OpenNeuro Database 1,800+ BIDS neuroimaging datasets

🛠️ Software Frameworks & Tools

Self-Driving Lab Software

Tool Stars Description Link
AI-Scientist Stars End-to-end automated research pipeline GitHub
MADSci Stars Modular framework for autonomous discovery GitHub
LabClaw Stars Open-source AI infrastructure for scientific labs — 5-layer architecture with self-evolving agents GitHub
IvoryOS No-code web interface for SDL workflows Nature Comm 2025
AlabOS Python reconfigurable SDL management Digital Discovery

AI for Science Agent Platforms

Platform Provider Description Link
Claude for Life Sciences Anthropic MCP connectors + Agent Skills for life science research anthropic.com
Claude Scientific Skills K-Dense AI 140+ ready-to-use scientific skills Stars GitHub
Google Vertex AI Agent Engine Google Cloud Life science R&D agent framework Google Cloud
OpenAI for Science OpenAI Prism LaTeX + GPT-5 lab agent + FrontierScience openai.com/science
Claude in Microsoft Foundry MS + Anthropic Healthcare & life science agentic workflows microsoft.com

MCP Servers for Life Sciences

MCP Server Provider Description Auth Required
PubMed NCBI/Anthropic Search biomedical literature None
BioRender BioRender Scientific illustrations & diagrams Free account
Synapse.org Sage Bionetworks Collaborative research data management Free account
Scholar Gateway Wiley Peer-reviewed scientific publications Free account
10x Genomics Cloud 10x Genomics Single-cell & spatial analysis in natural language Paid account
Benchling Benchling Lab notebooks, experiments, records Enterprise

Scientific Skills (Claude Code / Agent Skills Standard)

From claude-scientific-skills — 140+ skills across:

Category Count Examples
Scientific Databases 28+ OpenAlex, PubMed, ChEMBL, UniProt, COSMIC, ClinVar, KEGG, PDB
Python Packages 55+ RDKit, Scanpy, BioPython, DeepChem, PyTorch Lightning
Lab Integrations 15+ Benchling, DNAnexus, LatchBio, OMERO, Protocols.io, Opentrons
Analysis & Communication 30+ Literature review, scientific writing, peer review, slides, posters
Clinical & Research 10+ Clinical decision support, treatment plans, hypothesis generation
Bioinformatics Skills 4 Single-cell RNA-seq QC, scvi-tools, Nextflow pipelines, Allotrope conversion

Multi-Agent Frameworks

Tool Description Link
LangGraph Multi-agent orchestration GitHub
CrewAI Role-based multi-agent framework GitHub
AutoGen Microsoft multi-agent conversations GitHub

Lab Automation Standards & Protocols

Standard Description Link
SiLA 2 Standardization in Lab Automation protocol sila-standard.com
Bluesky NSLS-II data acquisition framework blueskyproject.io
MuJoCo Physics simulation for robotics GitHub
Isaac Gym / Isaac Lab GPU-accelerated robot learning NVIDIA

🏢 Companies & Startups

Self-Driving Labs / Cloud Labs

Company Focus Stage
Ginkgo Bioworks 🔥 Cloud lab + GPT-5 autonomous biology Public (NYSE: DNA)
Emerald Cloud Lab Remote-access automated lab Growth
Strateos Robotic cloud lab Growth
Culture Biosciences Automated bioreactors Growth
Arctoris Fully automated drug discovery lab Growth
SciSpot Self-driving lab platform for life sciences Growth

AI for Life Sciences

Company Focus Stage
FutureHouse Robin multi-agent scientific discovery Growth
Insilico Medicine End-to-end AI drug discovery Late
Recursion AI + biology platform Public
Isomorphic Labs AlphaFold → drug design (Alphabet) Growth
Owkin Federated clinical AI Growth
Causaly Knowledge graph for life sciences Growth

Lab Automation Hardware & Software

Company Product Focus
HighRes Biosolutions 🔥 Cellario + FlexPod Agentic AI lab orchestration
Opentrons OT-2/Flex Affordable liquid handling
Hamilton STAR/Vantage High-end liquid handling
Chemspeed SWING/iSynth High-throughput synthesis
Beckman Coulter Biomek Life science automation
ABB Robotics Collaborative robots AI-driven lab automation

📚 Key Papers

🔬 Top Research — Autonomous Lab Systems

Paper Venue Year Key Result
GPT-5-driven autonomous lab optimizes cell-free protein synthesis bioRxiv 2026 🔥 36k experiments, 40% cost reduction, minimal human intervention
Knowledge-driven autonomous materials research (MARS) Matter 2026 19 LLM agents + 16 tools, closed-loop materials discovery
An autonomous laboratory for accelerated synthesis (A-Lab) Nature 2023 43 materials in 17 days (Correction 2026)
Autonomous chemical research with LLMs (Coscientist) Nature 2023 GPT-4 planned & executed palladium cross-coupling
Autonomous mobile robot for exploratory chemistry Nature 2024 Mobile robot navigating lab, performing synthesis autonomously
Robin: multi-agent system for scientific discovery arXiv 2025 First AI to autonomously discover & validate therapeutic candidate (ripasudil)
ORGANA: robotic assistant for automated chemistry Matter 2024 Franka robot + LLM planning for autonomous chemistry

🔬 Top Research — Closed-Loop & Active Learning

Paper Venue Year Key Result
Autonomous catalysis research with human–AI–robot collaboration Nature Catalysis 2025 Human-AI-robot collaboration for catalyst discovery
Autonomous closed-loop mechanistic investigation of molecular electrochemistry Nature Communications 2024 Adaptive closed-loop workflow for electrochemical mechanism
Closed-loop nanomaterials synthesis (AMPLE) Nature Chemical Eng 2025 Gram-to-tonne scale, microreactors + ML + automation
Science acceleration and accessibility with self-driving labs Nature Communications 2025 Perspective on SDL accessibility & democratization
SDL discovers principles for steering spontaneous emission Nature Communications 2025 Autonomous experimentation in ultrafast nanophotonics
Flow-driven data intensification for materials discovery Nature Chemical Eng 2025 10× data intensification for autonomous materials

🔬 Top Research — LLM Agents in Labs

Paper Venue Year Key Result
LLM agents for automation of atomic force microscopy Nature Communications 2025 AILA framework + AFMBench for evaluating LLM-driven AFM automation
Automating quantum computing experiments with agent-based AI Cell Patterns 2025 LLM agent autonomously plans, executes & analyzes quantum experiments
LIRA: Localization, inspection and reasoning for SDL Communications Chemistry 2025 Vision + reasoning module for autonomous lab workflows
LLMs in the scientific method: from hypothesis to discovery npj Artificial Intelligence 2025 Comprehensive analysis of LLM roles across scientific method
AI Scientist: Fully automated scientific discovery arXiv / Sakana AI 2024 End-to-end research pipeline
Evaluating AI Scientist: Bold Claims, Mixed Results ACM SIGIR Forum 2025 Independent evaluation of AI Scientist capabilities

🔬 Top Research — Safety, Infrastructure & Standards

Paper Venue Year Key Result
Steering towards safe self-driving laboratories Nature Reviews Chemistry 2025 Safety framework for autonomous labs
Self-driving labs for biotechnology Nature Computational Sci 2025 When SDLs are (and aren't) applicable in biotech
IvoryOS: interoperable web interface for SDL Nature Communications 2025 No-code drag-and-drop SDL interface
Transforming science labs into automated factories Science Robotics 2024 Vision for lab-as-factory transformation
Accelerating discovery with AI and robotics Science Robotics 2025 Perspectives & challenges for lab AI+robotics
Building an affordable self-driving lab APL Machine Learning 2025 IoT-based SDL for education (~$60 budget)

🏥 Clinical / Biomedical AI

Paper Venue Year
AlphaFold 3: biomolecular interaction prediction Nature 2024
Med-PaLM: LLMs encode clinical knowledge Nature 2023
GatorTron: Large Clinical Language Model npj Digital Medicine 2022

📖 Books & Courses

🎯 Benchmarks & Datasets

Benchmark Domain Description
FrontierScience General OpenAI benchmark for AI scientific reasoning
ScienceWorld General Interactive text-based science experiments
Materials Project Materials 150k+ materials with computed properties
AlphaFold DB Biology 200M+ predicted protein structures
PubChem Chemistry 100M+ chemical compounds
ChEMBL Drug Discovery Bioactive molecules with drug-like properties
ScienceAgentBench General 102-task benchmark for AI science agents (ICLR 2025)

🌐 Communities & Events

🔗 Related Awesome Lists

AI for Science & Autonomous Research

List Stars Focus Active
awesome-ai-for-science Stars Broadest AI+Science resource (tools, papers, datasets) 2026
awesome-self-driving-labs Stars Self-driving labs (chemistry/materials), BibTeX refs 2025
Awesome-Self-Evolving-Agents Stars Self-evolving agent architectures (survey companion) 2025
Awesome-LLM-Scientific-Discovery Stars 3-level autonomy framework (EMNLP 2025 survey) 2025
Awesome-AI-Scientists Stars Full-pipeline AI scientist systems (Tsinghua) 2025
Awesome-AI-Scientist-Papers Stars Robot scientist lineage: Ross King → AI Scientist 2025
Awesome-Scientific-Language-Models Stars 260+ domain-specific scientific LLMs catalogued 2025
Awesome-Scientific-Datasets-and-LLMs Stars Scientific datasets + LLM benchmarks 2025

Neuroscience

List Stars Focus Active
awesome-neuroscience Stars Full-stack neuroscience tools (simulation → behavior) 2024
awesome-neural-geometry Stars Geometric deep learning + neuroscience 2026
awesome-neurofm Stars Neural foundation models (POYO, NDT2, POSSM) 2025
ElectrophysiologySoftware Stars EEG/MEG/ECoG/intracranial tools 2025
awesome-janelia-software Stars HHMI/Janelia research software 2025

Life Sciences & Biology

List Stars Focus Active
Awesome-Bioinformatics Stars Bioinformatics CLI tools (200+) 2025
awesome-single-cell Stars Single-cell genomics (300+ tools) 2026
papers_for_protein_design_using_DL Stars 500+ protein design papers 2026
awesome-computational-biology Stars Computational biology databases + tools 2026
awesome-bioie Stars Biomedical NLP / information extraction 2024
Awesome-LLM-Agents-Scientific-Discovery Stars LLM agents in biomedical research 2025

Chemistry & Materials

List Stars Focus Active
awesome-python-chemistry Stars Python chemistry packages (150+) 2025
best-of-atomistic-machine-learning Stars 510 projects, auto-ranked weekly 2026
awesome-cheminformatics Stars Cheminformatics tools 2024
awesome-materials-informatics Stars Materials databases + ML platforms 2025
papers-for-molecular-design-using-DL Stars 400+ molecular design papers 2026
awesome-molecular-generation Stars Generative molecular modeling (diffusion, flow) 2025
awesome-isaac-gym Stars NVIDIA Isaac Gym for robot learning & simulation 2026

Drug Discovery

List Stars Focus Active
awesome-drug-discovery Stars Computational drug discovery tools 2025
awesome-small-molecule-ml Stars Small-molecule drug discovery ML 2023
awesome-AI-based-protein-design Stars AI protein design papers 2024
awesome-ai-agent-papers Stars AI agent papers (general) 2026

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Maintained by Cong — Researcher in Physical AI for Science, Agentic Systems & Embodied Intelligence @ Harvard

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A curated collection of resources for Physical AI for Science — where robotics, lab automation, and AI agents converge to accelerate scientific discovery.

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