Products & projects

Machine learning density-based operators.

Poraquê is a software framework for machine learning operatorsbetween the real-space fields of density functional theory.Given only a crystal geometry, it predicts the charge density andthe kinetic energy density — no wavefunctions, no self-consistency cycle.

• Density-based operators as first-class objects
• Built for the standard scientific Python stack
• Aimed at accelerating electronic-structure workflows

https://github.com/seixas-research/poraque

Visual atomistic modeling.

A C++ toolkit for visual atomistic modelling — building, inspecting and manipulating atomic structures where seeing the system matters as much as computing it.

• Interactive construction and inspection of atomic structures
• Written in C++ for speed on large systems
• Designed to sit alongside existing simulation codes

https://calango.seixas.dev