aleimi

aleimi is a versatile Python package designed for performing conformational analysis of small molecules. The package utilizes a range of theories, including classical mechanics, semiempirical, and high-level quantum mechanics, to provide comprehensive and accurate analyses of molecular conformations.

Alejandro Martínez León
Alejandro Martínez León
PhD-Student of Biophysics | MSCA

My research interests include molecular dynamic simulations, coding and theoretical biophysics.