PyPI page
Author:
Santiago Morandi
License:
MIT License
Copyright (c) 2024 LopezGroup-ICIQ
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated do...
Summary:
Chemical Reaction Network generator for heterogenous catalysis
Latest version:
0.9.0
Required dependencies:
acat
|
ase
|
autoadsorbate
|
dask
|
energydiagram
|
juliacall
|
matplotlib
|
mp-api
|
networkx
|
numba
|
numpy
|
openpyxl
|
pandas
|
prettytable
|
psutil
|
py-cpuinfo
|
pydot
|
pymatgen
|
rdkit
|
rich
|
scikit-learn
|
scipy
Optional dependencies:
codecov
|
coverage
|
fairchem-core
|
flake8
|
gamenet-uq
|
mace-torch
|
orb-models
|
pytest
|
pytest-cov
|
sevenn
|
torch-dftd
|
upet
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