swh:1:snp:02443124ed4ee0d8d724fefd38bf9b271361cc09
Tip revision: 2c5eb46670ff967c71d35397568ab60eed423151 authored by Jan-Michael Rye on 02 October 2023, 15:07:23 UTC
Handle exceptions when converting InChIs to molecules
Handle exceptions when converting InChIs to molecules
Tip revision: 2c5eb46
chemfeat.features.calculators.rst
chemfeat.features.calculators package
=====================================
Submodules
----------
chemfeat.features.calculators.ecfp module
-----------------------------------------
.. automodule:: chemfeat.features.calculators.ecfp
:members:
:undoc-members:
:show-inheritance:
chemfeat.features.calculators.padel module
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.. automodule:: chemfeat.features.calculators.padel
:members:
:undoc-members:
:show-inheritance:
chemfeat.features.calculators.qed module
----------------------------------------
.. automodule:: chemfeat.features.calculators.qed
:members:
:undoc-members:
:show-inheritance:
chemfeat.features.calculators.rdkdesc module
--------------------------------------------
.. automodule:: chemfeat.features.calculators.rdkdesc
:members:
:undoc-members:
:show-inheritance:
chemfeat.features.calculators.rdkfp module
------------------------------------------
.. automodule:: chemfeat.features.calculators.rdkfp
:members:
:undoc-members:
:show-inheritance:
chemfeat.features.calculators.secfp module
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.. automodule:: chemfeat.features.calculators.secfp
:members:
:undoc-members:
:show-inheritance:
Module contents
---------------
.. automodule:: chemfeat.features.calculators
:members:
:undoc-members:
:show-inheritance:
