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Author:
Himan
License:
MIT
Summary:
Complete computational materials science toolkit: ML predictions, DFT bridge, stability, band structure, elastic, dielectric, magnetic, and genetic algorithm discovery
Latest version:
2.15.0
Required dependencies:
ase
|
fastapi
|
gradio
|
huggingface-hub
|
matgl
|
mp-api
|
numpy
|
pydantic
|
pydantic-settings
|
pymatgen
|
rich
|
scikit-learn
|
strawberry-graphql
|
torch
|
typer
|
uvicorn
|
wandb
Optional dependencies:
ase
|
fairchem-core
|
fastapi
|
gradio
|
httpx
|
matgl
|
mypy
|
pandas
|
polars
|
pyarrow
|
pymatgen
|
pytest
|
pytest-cov
|
ruff
|
strawberry-graphql
|
torch
|
uvicorn
|
wandb
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