Popular repositories Loading

1. MOBO MOBO Public

   data and code for reproducing paper

   Python 5

2. WWL-GPR WWL-GPR Public

   WWL-GPR model (Wasserstein Weisfeiler-Lehman graph kernel with Gaussian Process Regression) for predicting binding motifs and associated adsorption enthalpies of complex adsorbates at transition me…

   Python 4 4

3. q-e q-e Public

   Forked from QEF/q-e_old

   Official mirror of Quantum ESPRESSO

   Fortran

4. ase-espresso ase-espresso Public

   Forked from vossjo/ase-espresso

   ase interface for Quantum Espresso

   Python

5. libbeef libbeef Public

   Forked from vossjo/libbeef

   Library for Bayesian error estimation functionals for use in density functional theory codes

   C

6. Wenbintum.github.io Wenbintum.github.io Public

   blog

   CSS