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Merge pull request #3598 from deepchem/revert-3591-deep-3
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Revert "periodic table Utilities [DFT] [PR-3]"
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rbharath committed Oct 5, 2023
2 parents e815ffb + 92866d3 commit 1e19e7a
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4 changes: 0 additions & 4 deletions deepchem/utils/__init__.py
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from deepchem.utils.sequence_utils import hhsearch

try:
from deepchem.utils.periodictable_utils import get_atomz
from deepchem.utils.periodictable_utils import get_atom_mass
from deepchem.utils.periodictable_utils import get_period

from deepchem.utils.pytorch_utils import unsorted_segment_sum
from deepchem.utils.pytorch_utils import segment_sum
from deepchem.utils.pytorch_utils import chunkify
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137 changes: 0 additions & 137 deletions deepchem/utils/assets/periodic_table.json

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143 changes: 0 additions & 143 deletions deepchem/utils/periodictable_utils.py

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29 changes: 0 additions & 29 deletions deepchem/utils/test/test_periodictable_utils.py

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12 changes: 0 additions & 12 deletions docs/source/api_reference/utils.rst
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Expand Up @@ -325,18 +325,6 @@ Can be used inside of default_generator function.

.. autofunction:: deepchem.utils.batch_utils.create_output_array

Periodic Table Utilities
------------------------

The Utilities here are used to computing atomic mass and radii data.
These can be used by DFT and many other Molecular Models.

.. autofunction:: deepchem.utils.periodictable_utils.get_atomz

.. autofunction:: deepchem.utils.periodictable_utils.test_get_atom_mass

.. autofunction:: deepchem.utils.periodictable_utils.test_get_period

Equivariance Utilities
----------------------

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