Software

My Scientific Profile

Fetch the metadata of your scientific publications.

Github

IPML

Intermolecular potentials from a combination of physics- and machine learning-based models applicable across chemical space

Gitlab Publication

Auto Martini

A toolkit that enables automatic generation of Martini forcefields for small organic molecules.

Github Publication

peptideB

ESPResSo implementation of peptideB. Coarse-grained peptide model for secondary-structure formation.

Github Publication