with the selected classifier
fast lightweight smooth overlap atomic position (SOAP) calculator. see github.com/SINGROUP/SOAPLite for detailed documentations.
Python interface for tight-binding model creation and analysis of DFT output. Input mechanism for large scale transport calculations using NEGF TBtrans (TranSiesta)
Light Scattering methods for Python
Simple teaching tool for classical MD simulation
Design of experiments for Python
A python library that allow to use one or multiple NetCDF files in a transparent way through polimorphic methods.
Python port of the FLEXWIN package
Large-scale Visualization Data Storage
Gyromagnetic ratios, spin, and quadrupole moments (where applicable) of all elements and the electron.
Automating the computation of topological numbers of band-structures
Exupery package for SeisHub.
Python wrapper for MuJoCo physics simulation.
Scienta Omicron (NanoScience) (NanoTechnology) MATRIX Control System result file accessing tool
A 3D / graph event viewer for high-energy physics event simulations
Provides an interface to describe symmetry representations.
A GPU-ready drop-in replacement for numpy
Load a shared library (and access a 32-bit library from 64-bit Python)
Tools to build an instrument model.