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Surfaces and Interfaces at the Nanoscale's Projects

readafm icon readafm

Code for the analysis of AFM images - Dhananjay and Tobias.

runner icon runner

Tools to easly schedule atomistic simulation workflow

sklearn_scripts icon sklearn_scripts

Scripts for running MLP and KRR using the python package scikitlearn.

soaplite icon soaplite

Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.

triton icon triton

Scripts for working with the Triton cluster.

tritonspooler icon tritonspooler

A simple and flexible job spooler for Triton (or any other cluster/supercomputer)

vasp icon vasp

Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.

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