Software and AI

Purpose-Built Scientific Software & AI

We build enterprise-grade scientific software applications and tools that solve complex R&D challenges, purpose-built for your IP and to scale with your goals.

Solutions That Power Differentiation

What is “purpose-built” software? Purpose-built solutions are built for and around the unique needs, data, workflows, and challenges of the organization. By nature, boxed software is built for an industry, not your company, rarely able to address the complex, evolving needs of today’s R&D labs. While these one-size-fits-all tools can provide value, they only solve part of your problem and will never enable real competitive advantage given they are available to everyone. Enthought builds purpose-built applications, dashboards, AI-driven systems and more designed around your company’s product goals, team workflows, and proprietary data, combining deep scientific expertise with world-class software engineering.

We are the go-to R&D technology partner for:

  • Strategic transformation
  • Solution design and development
  • Project takeovers
  • Last mile execution
  • Deployment and adoption
  • Scaling POCs

What We Deliver

Our Software & AI Capabilities

We design and develop custom, purpose-built scientific software and AI-driven systems that
modernize workflows, accelerate discovery, and scale with your R&D goals.

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Scientific Software Development

Custom applications tailored around your experiments, data, and decisions built by world-class scientific software experts with PhD level scientific backgrounds.

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Legacy Software Modernization

Strategic redesign and transformation of costly legacy systems into value-generating applications that evolve with your changing needs and challenges.

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UI/UX for Science

User-friendly and intuitive interfaces built for scientists, ensuring tool accessibility, adoption, and ROI—while increasing efficiency and satisfaction.

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Predictive Modeling

Advanced models that help you prioritize experiments and make data-driven decisions with confidence, from classical machine learning to agentic AI systems.

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Custom Simulations

Physics-based and hybrid simulations that mirror how materials, chemicals, and processes behave to greatly reduce the need for time-intensive, expensive experiments.

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Web Applications

Cloud-native web applications that enable your team to securely access, share, and analyze real-time data from any device, fostering collaboration and ensuring data integrity.

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Multimodal Knowledge Systems

Applications that give lightning-speed access to all data, from PDFs and ELNs to images, spectra, and instruments, eliminating tedious and time-consuming workflows.

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API Development

Custom APIs that connect all the data sources across your stack and lab—versioned, secure, and built for long-term reliability so integration never becomes a bottleneck.

Purpose-Built Solutions Leveraging the Best Fit Technologies

Our solutions are built on proven architectures and the latest advances in AI, cloud infrastructure, and workflow automation—ensuring scalability and reliability for even the most complex scientific environments.

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Core Technologies

Machine Learning, Deep Learning, Bayesian Optimization, Generative Adversarial Networks, Graph Neural Networks

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Advanced Modeling & Systems

Reasoning Models, Multi-Scale Modeling, Surrogate Modeling, Simulation, Image Processing, Agentic AI Systems

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Language & Generative AI

Natural Language Processing, Foundation Models, Generative AI, Large Language Models

Insights & Resources

4 min read
Concurrent Materials Design, Accelerated by AI
This article references topics presented by Dr. Michael Heiber at Enthought’s 2025 R&D Innovation Summit in Tokyo. Link...
3 min read
6 Predictions: How AI Will Transform Scientific R&D In The Next Decade
This article was originally published on Forbes and can be found here. By Michael Connell, EdD | Chief Operating...
3 min read
Reshaping Materials R&D: Navigating Margin Pressure in the Specialty Chemicals Industry
The specialty chemicals and materials industry is undergoing a significant shift. For companies that have historically...
3 min read
The Emergence of the AI Co-Scientist
The era of the AI Co-Scientist is here. How is your organization preparing? Business and industry are undergoing a sea...

Ready to Take the Next Step?

Whether you need to get your R&D organization AI-ready or are ready to capitalize on advanced AI, Enthought can help.