Pinned Loading

1. MBDF MBDF Public

   Script for generating the Many Body Distribution Functionals and Density of Functionals representations

   Python 12

2. cMBDF cMBDF Public

   convolutional MBDF via fast fourier transforms

   Python 7 1

3. QMLwrap QMLwrap Public

   Scripts for generating molecular representations and applying Kernel Ridge Regression models

   Python 2 1

4. qml2 qml2 Public

   Forked from qmlcode/qml

   QMLcode with additional local kernels

   Python 1

5. aPBE0 aPBE0 Public

   ML model for predicting the optimal exact exachange ratio to be used in the PBE0 functional

   Python 1

6. VQM24 VQM24 Public

   Tools used for generating and analyzing the VQM24 dataset

   Python