Popular repositories Loading

1. OGRe OGRe Public

   Optimal Grid Refinement tool to minimize the computational effort for free energy evaluation methods that require an overlap of simulated probability densities

   Python 3

2. SupportingInformation SupportingInformation Public

   This repository contains additional supporting information for published manuscripts.

   Jupyter Notebook 2

3. molmod molmod Public

   Forked from molmod/molmod

   MolMod is a collection of molecular modelling tools for python.

   Python

4. yaff yaff Public

   Forked from molmod/yaff

   Yaff is yet another force-field code

   Python

5. tamkin tamkin Public

   Forked from molmod/tamkin

   TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

   Python

6. QuickFF QuickFF Public

   Forked from molmod/QuickFF

   A Python code to quickly derive ab initio parameterized force fields.

   Python