SAMSON

SAMSON (Software for Adaptive Modeling and Simulation Of Nanosystems) is a computer software platform for molecular design being developed by OneAngstrom and previously by the NANO-D group at the French Institute for Research in Computer Science and Automation (INRIA).

SAMSON has a modular architecture that makes it suitable for different domains of nanoscience, including material science, life science, and drug design.

SAMSON Extensions, developed with the SAMSON software development kit (SDK), help users perform tasks, including building new models, performing calculations, running interactive or offline simulations, and visualizing and interpreting results.

SAMSON, SAMSON Extensions and the SAMSON Software Development Kit are distributed via the SAMSON Connect website. The site acts as a repository for the SAMSON Extensions being uploaded by developers, and users of SAMSON choose and add extensions from SAMSON Connect.

SAMSON has a built-in assistant based on GPT-5 and Retrieval-augmented generation (RAG) that helps users discover functionality, open relevant documentation, and execute commands directly from chat. It can also assist with selecting, Python scripting, analyzing documents, retrieve online information relevant to molecular design, and supports voice interaction.

SAMSON represents nanosystems using five categories of models:

Molecules and systems can be built using atoms, fragment libraries, and procedural generators.

Simulators (potentially interactive ones) are used to ensure that models are physically based and predict properties.