Popular repositories Loading

1. lio lio Public

   Linear implementation of DFT calculations (CPU and GPU)

   C++ 26 18

2. AMBER-parameters-database AMBER-parameters-database Public

   Each parameter set is defined by an OFF and FRCMOD file.

   6 1

3. hybrid hybrid Public

   QM/MM software developed for simple optimizacion and dynamics aproaches.

   C++ 1 3

4. MLMM-embeddings-assessment-paper MLMM-embeddings-assessment-paper Public

   This repository contains data and scripts regarding a paper submited to JCIM.

   Jupyter Notebook 1

5. gromacs gromacs Public

   Forked from gromacs/gromacs

   Public/backup repository of the gromacs molecular simulation toolkit

   C++

6. libxc-gpu libxc-gpu Public

   This is the main libxc GPU repository to be used by LIO

   C