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dev-python/deepchem

Deep learning models for drug discovery, quantum chemistry, and the life sciences.

Screenshots

  • deepchem-2.8.1_pre20260121224927
    ~amd64 ~x86
    dqc jax tensorflow torch python_targets_python3_11 python_targets_python3_12

    View      Download      Browse     License: MIT   
    Overlay: pypi
  • deepchem-2.8.0
    ~amd64 ~x86
    dqc jax tensorflow torch python_targets_python3_11

    View      Download      Browse     License: MIT   
    Overlay: pypi

Runtime Dependencies

deepchem-2.8.1_pre20260121224927



dev-python/joblib[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
]


<dev-python/numpy-2.0[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
]


dev-python/pandas[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
]


dev-python/scikit-learn[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
]


dev-python/sympy[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
]


>=dev-python/scipy-1.10.1[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
]


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

jax?
      ( dev-python/jax[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

jax?
      ( dev-python/jaxlib[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

jax?
      ( dev-python/dm-haiku[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

jax?
      ( dev-python/optax[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

torch?
      ( dev-python/torch[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

torch?
      ( dev-python/torchvision[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

torch?
      ( dev-python/pytorch-lightning[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

torch?
      ( dev-python/dgl[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

torch?
      ( dev-python/dgllife[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

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

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

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

dqc?
      ( dev-python/dqc[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

dqc?
      ( dev-python/xitorch[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

dqc?
      ( dev-python/torch[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

dqc?
      ( dev-python/pylibxc2[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
] )

python_targets_python3_11?
      ( dev-lang/python:3.11 )

python_targets_python3_12?
      ( dev-lang/python:3.12 )

deepchem-2.8.0


dev-python/joblib[python_targets_python3_11
      (-)
?
]

>=dev-python/numpy-1.21[python_targets_python3_11
      (-)
?
]

dev-python/pandas[python_targets_python3_11
      (-)
?
]

dev-python/scikit-learn[python_targets_python3_11
      (-)
?
]

dev-python/sympy[python_targets_python3_11
      (-)
?
]

>=dev-python/scipy-1.10.1[python_targets_python3_11
      (-)
?
]

dev-python/rdkit[python_targets_python3_11
      (-)
?
]

dqc?
      ( dev-python/dqc[python_targets_python3_11
            (-)
      ?
] )

dqc?
      ( dev-python/xitorch[python_targets_python3_11
            (-)
      ?
] )

dqc?
      ( dev-python/torch[python_targets_python3_11
            (-)
      ?
] )

dqc?
      ( dev-python/pylibxc2[python_targets_python3_11
            (-)
      ?
] )

jax?
      ( dev-python/jax[python_targets_python3_11
            (-)
      ?
] )

jax?
      ( dev-python/jaxlib[python_targets_python3_11
            (-)
      ?
] )

jax?
      ( dev-python/dm-haiku[python_targets_python3_11
            (-)
      ?
] )

jax?
      ( dev-python/optax[python_targets_python3_11
            (-)
      ?
] )

tensorflow?
      ( dev-python/tensorflow[python_targets_python3_11
            (-)
      ?
] )

tensorflow?
      ( dev-python/tensorflow-probability[python_targets_python3_11
            (-)
      ?
] )

tensorflow?
      ( dev-python/tensorflow-addons[python_targets_python3_11
            (-)
      ?
] )

torch?
      ( dev-python/torch[python_targets_python3_11
            (-)
      ?
] )

torch?
      ( dev-python/torchvision[python_targets_python3_11
            (-)
      ?
] )

torch?
      ( dev-python/pytorch-lightning[python_targets_python3_11
            (-)
      ?
] )

torch?
      ( dev-python/dgl[python_targets_python3_11
            (-)
      ?
] )

torch?
      ( dev-python/dgllife[python_targets_python3_11
            (-)
      ?
] )

python_targets_python3_11?
      ( dev-lang/python:3.11 )