Popular repositories Loading

1. funnel_maker funnel_maker Public

   Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.

   Jupyter Notebook 15 3

2. OpenBPMD OpenBPMD Public

   Forked from Gervasiolab/OpenBPMD

   Python 13 1

3. omm_fun-metad omm_fun-metad Public

   Jupyter Notebook 4

4. hello-enhanced-sampling hello-enhanced-sampling Public

   Repository of scripts and recipes for testing and analysing various enhanced sampling approaches in MD.

   Python 1

5. deep-lda_guest-host_test deep-lda_guest-host_test Public

   Jupyter Notebook

6. openmm openmm Public

   Forked from openmm/openmm

   OpenMM is a toolkit for molecular simulation using high performance GPU code.

   C++