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1. XPS XPS Public

   Forked from doublelayer/XPS

   Theoretical XPS plotting

   Python 1

2. fairchem fairchem Public

   Forked from facebookresearch/fairchem

   FAIR Chemistry's library of machine learning methods for chemistry

   Python

3. potentialFromDDEC potentialFromDDEC Public

   Forked from doublelayer/potentialFromDDEC

   A script that calculates the potential drop, dipole correction and creates figures from the DDEC6 surface charges

   Python

4. energy_densities energy_densities Public

   Forked from vuckovic-lab/energy_densities

   This repository contains the generators for MP2 correlation energy density and exact exchange energy density.

   Python 1

5. kalyan kalyan Public

   Dr.Kalyan Kumar Dhar

   1