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Author:
Yaoshu Xie
License:
MIT
Summary:
High throughput simulation for crystalline interfaces
Latest version:
0.1.0
Required dependencies:
adjusttext
|
ase
|
atomate2
|
interfacemaster
|
jobflow
|
jobflow-remote
|
matplotlib
|
mp-api
|
numpy
|
pandas
|
pymatgen
|
qtoolkit
|
scikit-learn
|
scikit-optimize
|
scipy
|
tqdm
Optional dependencies:
deepmd-kit
|
fastapi
|
jinja2
|
orb-models
|
plotly
|
python-multipart
|
pyyaml
|
sevenn
|
torch
|
uvicorn
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