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Dune Scientific — AI assisted Scientific Software Engineering

25+ years building software for the scientific community — from molecular visualization engines to lab automation systems — combining a Ph.D. in physical chemistry with two decades of hands-on C++, Python, and systems engineering.

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Moleculix — molecular visualization, from engine to desktop app.

Moleculix++ is a C++ molecular visualization and modeling library built on VTK, RDKit, and OpenMM, with a SQLite-backed local database. Moleculix Junior brings that engine to students and educators.

VTK RDKit OpenMM
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How Dune Scientific Builds Today

Modern tools, disciplined engineering.

AI-Assisted Development

Claude, Codex, and Deepseek as core parts of a modern development workflow — accelerating implementation while keeping architecture and correctness in human hands.

Desktop & API Development

Qt applications and APIs, built for performance and cross-platform reach.

Scientific Computing

VTK, RDKit, and OpenMM-based systems for molecular modeling, 3D visualization, and simulation.

Data & Databases

MySQL, PostgreSQL, and SQLite-backed applications, from lab data pipelines to desktop apps.
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From the Blog

Notes

Build VTK with bcc64x

With the latest C++ Builder release (13.1), building the latest version of VTK (9.6.2) is now  almost straightforward.…

Excitation of Double Quantum Coherence

Beta angles
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Dune Scientific, LLC

Software for the scientific community — from molecular visualization engines to lab automation systems.

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