raynol-dsouza

Ph.D. student at the Max Planck Institut für Eisenforschung

Max Planck Institut für EisenforschungDüsseldorf, Germany

Pinned Repositories

mdcraft
A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems
Language:Python11 2 151
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
Language:Jupyter Notebook365 16 33548
pyiron_atomistics
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
Language:Python44 9 35215
pyiron_base
Core components of the pyiron integrated development environment (IDE) for computational materials science
Language:Python20 11 27114
pyiron_continuum
pyiron_continuum - additional modules for the pyiron IDE supporting continuum scale simulations and workflows
Language:Jupyter Notebook3 7 315
pyiron_contrib
User developments to extend and modify core pyiron functionality
Language:Python8 8 6110
structuretoolkit
build, analyse and visualise atomistic structures for materials science
Language:Python7 5 190
i-pi
i-PI: a universal force engine
Language:Python0 0 00
master-thesis
Master thesis backup copy
Language:TeX0 1 00
mlip-feedstock
A conda-smithy repository for mlip.
Language:Shell0 0 00

raynol-dsouza/i-pi
i-PI: a universal force engine
Language:Python0 0 00
raynol-dsouza/master-thesis
Master thesis backup copy
Language:TeX0 1 00
raynol-dsouza/mlip-feedstock
A conda-smithy repository for mlip.
Language:Shell0 0 00