MOLMAKER

1. What is Molmaker?
2. What is MolMaker For?
3. What Problem Does MolMaker Solve?
4. Our Vision and Outlook

What is Molmaker?

MolMaker is an open-source scientific computing platform designed for quantum chemistry education and research. Inspired by commercial tools like WebMO, MolMaker enables users to run advanced computational chemistry simulations directly from their web browser—without needing to install or configure complex software environments. The platform integrates a modern Angular frontend with a Python FastAPI backend to provide an intuitive, responsive, and scalable user experience for both students and researchers.

What is MolMaker For?

MolMaker is designed to lower the barrier to entry for quantum chemical computation. It provides an accessible interface for performing tasks such as molecular geometry optimization, single-point energy calculations, and more, using state-of-the-art computational chemistry engines under the hood. By eliminating the need for command-line interaction and local installations, MolMaker empowers students, educators, and non-specialists to explore and visualize molecular structures and reactions with ease. It also supports remote execution of calculations, making it ideal for teaching, collaboration, and cloud-based workflows.

What Problem Does MolMaker Solve?

Traditional quantum chemistry tools often require significant setup, expert knowledge, and dedicated computing infrastructure—creating obstacles for learners and non-specialists. Some platforms offer solutions, but their closed-source nature limits transparency, extensibility, and long-term accessibility. MolMaker addresses this gap by offering a fully open-source, browser-based platform that brings powerful computational chemistry tools to a wider audience. It facilitates learning, experimentation, and innovation by making quantum chemistry more approachable, flexible, and future-ready.

Our Vision and Outlook

MolMaker’s long-term vision is to foster an open, collaborative community around quantum chemical computation. We aim to create a flexible and extensible platform that supports a wide range of calculation types and computational engines. By standardizing the communication between frontend and backend through well-designed, generic protocols, MolMaker makes it easy to integrate new methods, customize job configurations, and scale with evolving research needs. Whether users are performing simple energy calculations or designing complex workflows, MolMaker provides a consistent and user-friendly interface to drive discovery and innovation in computational chemistry.