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dev-python/megnet

MatErials Graph Networks for machine learning of molecules and crystals.

Screenshots

  • megnet-1.3.2
    ~amd64 ~x86
    model_saving molecules tensorflow tensorflow_with_gpu python_targets_python3_11 python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

    View      Download      Browse     License: BSD   
    Overlay: pypi

Runtime Dependencies

megnet-1.3.2





dev-python/numpy[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]




dev-python/scikit-learn[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]




dev-python/pymatgen[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]




dev-python/monty[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]




dev-python/tqdm[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]

model_saving?
      ( dev-python/h5py[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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] )

molecules?
      ( dev-python/openbabel[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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] )

molecules?
      ( dev-python/rdkit[python_targets_python3_11
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,python_targets_python3_12
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      ?
,python_targets_python3_13
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      ?
,python_targets_python3_14
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      ?
] )

tensorflow?
      ( dev-python/tensorflow[python_targets_python3_11
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,python_targets_python3_12
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      ?
,python_targets_python3_13
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      ?
,python_targets_python3_14
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      ?
] )

tensorflow_with_gpu?
      ( dev-python/tensorflow-gpu[python_targets_python3_11
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      ?
,python_targets_python3_12
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      ?
,python_targets_python3_13
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      ?
,python_targets_python3_14
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      ?
] )

python_targets_python3_11?
      ( dev-lang/python:3.11 )

python_targets_python3_12?
      ( dev-lang/python:3.12 )

python_targets_python3_13?
      ( dev-lang/python:3.13 )

python_targets_python3_14?
      ( dev-lang/python:3.14 )