Popular repositories
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turbomoleio
turbomoleio PublicTurbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
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jobflow-remote
jobflow-remote Publicjobflow-remote is a Python package to run jobflow workflows on remote resources.
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atomate2-lammps
atomate2-lammps Public archiveAn add-on package for atomate2 that implements workflows for the LAMMPS molecular dynamics code.
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Repositories
- jobflow-remote Public
jobflow-remote is a Python package to run jobflow workflows on remote resources.
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- atomate2-addon-template Public template
A template for writing add-on namespace packages for atomate2
- modnet Public Forked from ppdebreuck/modnet
MODNet: a framework for machine learning materials properties
- datalab Public Forked from the-grey-group/datalab
datalab is a place to store experimental data and the connections between them.
- turbomoleio Public
Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
- atomate2-lammps Public archive
An add-on package for atomate2 that implements workflows for the LAMMPS molecular dynamics code.
