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Author:
Soumendu Bagchi, Kaleb Duchesneau
Summary:
An adaptive and highly asynchronous ensemble simulation workflow manager MatEnsemble (https://github.com/Q-CAD/MatEnsemble) built jointly on top of the hierarchical graph based scheduler FLUX and concurrent-futures infrastructure of python
Latest version:
0.5.3
Required dependencies:
ase
|
cloudpickle
|
matplotlib
|
networkx
|
numpy
|
ovito
|
pandas
|
pymatgen
|
scikit-learn
|
scipy
|
seaborn
|
starlette
|
uvicorn
Optional dependencies:
flux-python
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