gflownet.utils.molecule.constants
=================================

.. py:module:: gflownet.utils.molecule.constants


Attributes
----------

.. autoapisummary::

   gflownet.utils.molecule.constants.atom_position_name
   gflownet.utils.molecule.constants.atom_feature_name
   gflownet.utils.molecule.constants.edge_feature_name
   gflownet.utils.molecule.constants.step_feature_name
   gflownet.utils.molecule.constants.atomic_numbers_name
   gflownet.utils.molecule.constants.ad_atom_types
   gflownet.utils.molecule.constants.atom_degrees
   gflownet.utils.molecule.constants.atom_hybridizations
   gflownet.utils.molecule.constants.bond_types
   gflownet.utils.molecule.constants.ad_smiles
   gflownet.utils.molecule.constants.ad_free_tas


Module Contents
---------------

.. py:data:: atom_position_name
   :value: 'pos'


.. py:data:: atom_feature_name
   :value: 'atom_features'


.. py:data:: edge_feature_name
   :value: 'edge_features'


.. py:data:: step_feature_name
   :value: 'step'


.. py:data:: atomic_numbers_name
   :value: 'atomic_numbers'


.. py:data:: ad_atom_types
   :value: ('H', 'C', 'N', 'O')


.. py:data:: atom_degrees

.. py:data:: atom_hybridizations

.. py:data:: bond_types
   :value: ()


.. py:data:: ad_smiles
   :value: 'CC(C(=O)NC)NC(=O)C'


.. py:data:: ad_free_tas
   :value: ((0, 1, 2, 3), (0, 1, 6, 7))