Pinned

1. ML_Calc_Driver Public

   Machine Learning Calculations Driver to emulate DFT calculations using machine learned predictive models

   Python 1 2

2. scripts_raman Public

   Scripts pour les calculs de phonons et de spectres Raman

   Python 1 1

3. phonon_projections Public

   Python 1 1

4. bigdft-suite Public

   New repo post BigDFT sur GitLab

   Fortran 2

5. atomistic-machine-learning/schnetpack Public

   SchNetPack - Deep Neural Networks for Atomistic Systems

   Python 570 170

6. exec_briaree Public

   Executables for the NEB project

   Python