https://github.com/molmod/psiflow

Interatomic potential development library

Last synced: 24 Dec 2025

https://github.com/molmod/molmod

MolMod is a collection of molecular modelling tools for python.

Last synced: 21 Oct 2025

https://github.com/molmod/thermolib

ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations

Last synced: 05 Feb 2026

https://github.com/molmod/acid

The AutoCorrelation Integral Drill (ACID) -- Dataset

acf autocorrelation-function autocorrelation-integral dataset exponential-correlation-time integrated-correlation-time power-spectral-distribution psd python stacie stepup systematic-validation typst worfklow

Last synced: 01 Apr 2026

https://github.com/molmod/git-tutorial

The CMM Git(Hub) tutorial

Last synced: 04 Jun 2026

https://github.com/molmod/sbc

learned collective variables using smooth basin classification

Last synced: 26 May 2026

https://github.com/molmod/copacof

Last synced: 25 May 2026