AI-Driven Material
Discovery Solutions

Accelerate materials discovery and innovation with Atinary’s no-code AI platform built for scientists and R&D leaders. Discover, optimize, and validate new materials faster—without writing a single line of code.
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R&D in Materials Science Is Slow, Costly, and Complex

Traditional trial-and-error approaches in material and molecular discovery are time-consuming, resource-intensive, and rarely guarantee optimal outcomes.
Navigating massive chemical design spaces and extracting actionable insights from growing datasets is beyond the capacity of manual or legacy methods.
Integration bottlenecks, unclear ROI, and resistance to digital adoption leave many labs stuck, limiting innovation and competitiveness.

Our AI Material Discovery Technology

Break free from R&D bottlenecks. Atinary SDLabs augments material scientists and R&D teams to accelerate discovery and process optimization using AI and self-driving lab technology—without requiring coding or AI expertise.
Accelerate discovery with AI-driven Design of Experiments (DoE): explore and optimize complex material spaces with or without automation or robotic integration.
Optional closed-loop automation: connect seamlessly with laboratory robotics, LIMS, and ELNs when desired for end-to-end digital transformation, while remaining fully usable as a standalone software platform.
State-of-the-art data security and IP protection: safeguard your proprietary data throughout the R&D process.
Deliver measurable ROI: achieve breakthrough results with fewer experiments, faster time-to-market, and reduced costs.

Why Choose SDLabs?

R&D Challenge
Atinary SDLabs Solution
Why It Matters
Slow, manual trial-and-error experimentation
Closed-loop AI/ML-driven optimization for rapid experiment cycles
Accelerates innovation, reduces project timelines from years to weeks
Inability to efficiently screen vast chemical/material design spaces
Global optimization with Atinary Falcon (including constraint handling via Emmental and transfer learning with SeMOpt
Enables exploration and discovery of novel, high-performing materials
Integration challenges with legacy hardware and digital systems
Optional integrations with robotic platforms, LIMS, ELNs via API/SDK
Maximizes return on your existing lab investments, future-proofs operations
Skepticism of AI tools; lack of scientific transparency
Algorithms built by chemists for chemists, with interpretable and explainable results
Builds trust, facilitates change management, accelerates user adoption
Unclear impact and ROI of digital tools
Proven use cases, quantifiable
time and cost savings
Justifies digital investment, empowers R&D leadership to drive business outcomes
Limited access to computational/AI experts
Intuitive UI designed for scientists,
not programmers
Lowers barrier to entry, democratizes advanced experimentation across teams
Core Innovations

What Sets Us Apart

Scientists, chemists, and researchers in pharma, biotech, cosmetics, flavors and fragrances, materials science, and chemistry.
R&D, innovation, and process teams seeking digital transformation and looking to move beyond manual, trial-and-error experimentation.
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What Does this Mean for
R&D Scientists and Materials Innovators?

Rapid, data-driven exploration of massive design spaces for new molecules and materials
Measurable breakthroughs with fewer experiments, lower costs and resources
Scientists focus on creative problem-solving while the platform handles complex optimization and routine iteration
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For R&D Directors

  • Accelerate innovation cycles with real-time insights and AI-driven optimization.
  • Quantify ROI with detailed analytics and benchmarking.
  • Simplify resource planning with automated workflows and reduced manual labor.
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For Hands-On Scientists

  • Skip the coding—design and optimize experiments in minutes.
  • Explore and exploit your complex experimental design space more effectively.
  • Seamless integration with existing workflows, whether automated or manual.
  • Boost lab productivity and throughput, focus on discovery and innovation.
  • Instantly access centralized experiment data and real-time analytics.
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For IT/Compliance

  • Available API integration to data sources, robotics and existing hardware.
  • SOC-2, HIPAA, and GDPR compliance out of the box.
  • Maintain full control of sensitive data and intellectual property.
How It Works

AI-Driven Closed Loop

02 AI DECISIONS
ML decides next
iterations of experiments

01 DESIGN EXPERIMENT

Multi-objective optimization
Incl. categorical variables
Add experimental constraints

05 AI/ML TRAINING

Re-train ML model with new data, go back to step 2

03 RUN EXPERIMENTS

Synthesis, Catalysis, Formulation,
and more..
With or without robots
Or in simulation

04 DATA ANALYTICS

Data Analytics
Reports
Understand, explain and exploit the data

01 DESIGN EXPERIMENT

Multi-objective optimization
Incl. categorical variables
Add experimental constraints

02 AI DECISIONS

ML decides next iterations of experiments

03 RUN EXPERIMENTS

Synthesis – Catalysis – Formulation
With or without robots
Or in simulation

04 DIGITAL LIBRARIES

Build high-quality, ML-ready datasets
Visualize results
Create reports
Extract insights

05 DATA ANALYTICS

Data analytics
Reports
Understand, explain and exploit the data

Connect Every Part of Your Lab—From Data to Devices

Atinary’s SDLabs platform is purpose-built to unify your entire R&D workflow, breaking down data silos and
enabling a truly digital, automated, and collaborative laboratory.
LIMS Compatibility
  • Instantly connect SDLabs with your Laboratory Information Management System (LIMS). All experiment data—conditions, results, metadata—is automatically captured and accessible in one secure, searchable hub. No more manual data transfers, lost files, or fragmented records.
  • Example: Chemists can retrieve or analyze any historical experiment in seconds, supporting audits, compliance, and faster innovation.
Robotics & Automation Hardware
  • Seamlessly link SDLabs to lab robots, liquid handlers, and reactors for a closed-loop, fully autonomous experimentation process.
Real-World Integrations
  • IBM’s RoboRXN/Chemspeed: AI algorithms in SDLabs send experiment designs directly to the robot; results are automatically fed back for instant re-optimization.
  • ETH Zurich Catalyst Optimization: Robotic platforms execute batches of 24 experiments; results sync with SDLabs for next-iteration planning—no manual intervention.
  • Oligonucleotide Synthesis: SDLabs supports integration with Chemspeed and Unchained Labs robots, streamlining complex workflows.
  • ViperLab Project: Robotic platforms, guided by SDLabs’ Falcon algorithm, optimize perovskite solar cell fabrication—demonstrating Atinary’s impact on advanced materials R&D.
Unified, ML-Ready Data
  • SDLabs eliminates information silos—every data point from every experiment is stored, organized, and ready for analysis or machine learning. This makes knowledge sharing across teams effortless and ensures robust, reproducible science.
Reproducibility & Audit Trails
  • Automatic, immutable logging of every experiment’s conditions, parameters, and results—critical for regulatory compliance and confident, repeatable discoveries.
No-Code to Pro-Code
  • While SDLabs empowers chemists with its no-code interface, advanced users and IT teams can leverage robust APIs and SDKs for custom integrations, automated workflows, or linking with legacy systems.
    • Academic researchers can access free tools like the Scientia API to connect their own data sources and accelerate collaboration.
Future-Proof Compatibility
  • SDLabs is designed to evolve with your lab—whether you’re adding new robotics, upgrading LIMS, or developing proprietary workflows.
Compliance-Ready
  • SDLabs is built with robust data security controls, including encryption, access management, and audit trails, supporting global privacy regulations (GDPR, CCPA, etc.).
IP Protection
  • Your proprietary formulations and research data is always encrypted.
Cloud Deployment
  • Flexible options to meet your IT and compliance requirements.

What it means:
Innovate with confidence—knowing your data, IP, and customer privacy are safeguarded at every step.

Ready to see how SDLabs can fit seamlessly into your lab ecosystem?

Testimonials

What they say about us

“… To accelerate catalyst development, we can now combine artificial intelligence and robotics, rationalizing the screening of chemical space and increasing the throughput and reproducibility of the experimental data. This groundbreaking approach achieves in weeks what traditionally took decades…”
“We are pleased to announce that we are collaborating with Atinary Technologies on leveraging their proprietary AI‑driven platforms in Firmenich R&D laboratories. Artificial intelligence, machine learning and the cutting‑edge digital technology behind self‑driving labs are providing new opportunities to speed and enhance our research and development. By combining Firmenich’s scientific expertise with Atinary’s Machine Learning algorithm, Falcon, and the SDLabs® software platform, we are accelerating process optimization towards industrialization of key ingredients.”
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“This partnership brings together our complementary expertise, paving the way for innovative AI solutions poised to transform pharmaceutical R&D and accelerate drug discovery. Through this collaboration, Takeda will leverage Atinary’s leading AI Self‑Driving Labs technology, which, combined with its expertise in R&D and drug discovery, aims to create a more robust and efficient drug development process, ultimately benefiting patients worldwide.”
Takeda
MIT
We used the Atinary SDLabs® platform to guide our simulations on MIT’s supercomputer and to seamlessly integrate my lab equipment to deploy AI‑driven autonomous experimentation. Remarkably, within a week, my team completed tasks that I originally estimated would take more than two years! Its user friendliness and capabilities make SDLabs® the iPhone of R&D.”

Customer Stories

  • All
  • Pharma
  • Cosmetics and Fragrances
  • CDMO
  • Biotech
See More

Frequently Asked Questions