Popular repositories Loading

1. analytics4md.github.io analytics4md.github.io Public

   JavaScript 1 1

2. A4MD-TrimTraj A4MD-TrimTraj Public

   The project's harnessed knowledge of molecular structures' transformations at runtime can be used to steer simulations to more promising areas of the simulation space, identify the data that should…

   Python 1 1

3. plumed2 plumed2 Public

   Forked from plumed/plumed2

   Development version of plumed 2

   C++

4. Catch2 Catch2 Public

   Forked from catchorg/Catch2

   A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later (or C++03 on the Catch1.x branch)

   C++

5. mdtraj mdtraj Public

   Forked from mdtraj/mdtraj

   A modern, open library for the analysis of molecular dynamics trajectories

   C

6. insitu-ensemble-simulator insitu-ensemble-simulator Public

   Jupyter Notebook