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Author:
InstaDeep
Summary:
Python tool for flexible and reproducible curation of MLIP datasets.
Latest version:
0.1.0
Required dependencies:
ase
|
cloudpathlib
|
fairchem-core
|
h5py
|
matscipy
|
omegaconf
|
openbabel-wheel
|
polars
|
pydantic
|
rdkit
|
torch
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