PhD in atomic physics, several postdoc stays in many-body perturbation theory. Scientific software developer at Simune Atomistics S.L.
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Create web-based user interfaces with Python. The nice way.
Flet enables developers to easily build realtime web, mobile and desktop apps in Python. No frontend experience required.
Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Simple RDKit molecule editor GUI using PySide