All AI4S Domains
From fundamental science to industrial R&D, to lab automation — community work is organized as "Domain + Agent + Benchmark".
Fundamental Science
Accelerating fundamental discovery with AI. Focused on long-tail problems and interpretable modeling.
Retrosynthesis / CADD
Reverse-design synthesis routes from target molecules; workflow-integrated with CADD.
Representative Agent: RetroChem, UniDock-Bridge
Computational Physics / QM
DFT acceleration, potential fitting, AI solvers for quantum many-body problems.
Representative Agent: DFT-Lite, QuantumScale
Life Sciences / Protein Eng.
Structure prediction, protein design and enzyme activity optimization.
Representative Agent: ProteinForge, EnzymeTune
Earth Science / Climate Modeling
Climate downscaling, seismic inversion and extreme weather warning.
Representative Agent: EarthScale-AI, QuakeNet
Industrial R&D
Bringing academic Agents into industry pipelines. Strong emphasis on data security, traceability and industry fit.
Solid-state Batteries
Electrolyte formulation search, interface stability prediction, cycle-life modeling.
Representative Agent: BatteryBlend
Fine Chemical Catalysts
Heterogeneous catalysis pathway simulation, lifetime prediction, virtual screening.
Representative Agent: CatalystMiner
Electronic Chemicals / Photoresist
Photoresist reverse engineering, photoacid generator evaluation, ArF/EUV process recommendation.
Representative Agent: ResistOpt
Lab Automation
Connecting instruments, robots and data systems — making labs as programmable and reproducible as software.
Instrument SDK Integration
Python SDK wrappers and auto-archival of raw spectra for Bruker XRD / NMR, Netzsch DSC / TGA and other mainstream instruments.
Representative Agent: BrukerLink, NetzschPilot
Liquid-handling / Sintering Robots
Unified control library for OT-2, Hamilton and Chinese-built arms; supports complex experiment orchestration.
Representative Agent: RobotOps
Enterprise LIMS Integration
Bi-directional sync with mainstream LIMS, experiment metadata governance, cross-platform audit trails.
Representative Agent: LIMS-Sync