SchNetPack - Deep Neural Networks for Atomistic Systems
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Updated
Jul 10, 2024 - Python
SchNetPack - Deep Neural Networks for Atomistic Systems
Course on topology in condensed matter
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Matbench: Benchmarks for materials science property prediction
Mirror of the Kwant project https://gitlab.kwant-project.org/kwant/kwant
Error propagation and statistical analysis for Markov chain Monte Carlo simulations in lattice QCD and statistical mechanics using autograd
BinPo: A code for electronic properties of 2D electron systems
Software for visualising magnetic layers
A python package to calculate thermal conductivity across molecular interfaces.
Collection of tools for condensed matter computational physics.
Implementation of local algorithms within pyscf
Sedimention of active Brownian particles in a box. Codes for numerical simulations and numerical solution of PDEs.
GUI and engine for magnetic simulations
spider for arXiv, physical review, Nature and its subjournals
Fork of tight-binding python package developed by Sinisa Coh and David Vanderbilt.
Calculation of thermal conductivity of graphene knot under strain
Post-processing scripts for VASP output files, with focus on gnuplot formats
A modification to the Custodian class in custodian (github.com/materialsproject/custodian) to allow for copying the temp_dir to other compute nodes via ssh.
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