1 code implementation • 4 May 2022 • Aldo Glielmo, Iuri Macocco, Diego Doimo, Matteo Carli, Claudio Zeni, Romina Wild, Maria d'Errico, Alex Rodriguez, Alessandro Laio
DADApy is a python software package for analysing and characterising high-dimensional data manifolds.
no code implementations • 11 Feb 2021 • Matteo Carli, Alessandro Laio
Estimating the free energy in molecular simulation requires, implicitly or explicitly, counting how many times the system is observed in a finite region.
Chemical Physics Soft Condensed Matter Computational Physics