Popular repositories Loading

1. MDBenchmark MDBenchmark Public

   Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

   Python 77 17

2. cnt-gaff cnt-gaff Public

   Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.

   Rich Text Format 21 7

3. PyDHAMed PyDHAMed Public

   Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations

   Jupyter Notebook 20 7

4. cadishi cadishi Public

   Cadishi: CAlculation of DIStance HIstograms

   Python 16

5. pydiffusion pydiffusion Public

   Analyse Rotational Diffusion Tensor from MD Simulations

   Jupyter Notebook 16 3

6. BioEn BioEn Public

   BioEn - Bayesian Inference Of ENsembles

   Python 16 8