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.

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

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

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

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

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.

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.

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.

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.
Core Technologies
Machine Learning, Deep Learning, Bayesian Optimization, Generative Adversarial Networks, Graph Neural Networks
Advanced Modeling & Systems
Reasoning Models, Multi-Scale Modeling, Surrogate Modeling, Simulation, Image Processing, Agentic AI Systems
Language & Generative AI
Natural Language Processing, Foundation Models, Generative AI, Large Language Models
Insights & Resources
3 min read
6 Predictions: How AI Will Transform Scientific R&D In The Next Decade
3 min read
Reshaping Materials R&D: Navigating Margin Pressure in the Specialty Chemicals Industry
3 min read
The Emergence of the AI Co-Scientist
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.