molcraft 0.1.0a11__py3-none-any.whl → 0.1.0a12__py3-none-any.whl

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Files changed (7) hide show
  1. molcraft/__init__.py +1 -1
  2. molcraft/featurizers.py +1 -0
  3. {molcraft-0.1.0a11.dist-info → molcraft-0.1.0a12.dist-info}/METADATA +1 -1
  4. {molcraft-0.1.0a11.dist-info → molcraft-0.1.0a12.dist-info}/RECORD +7 -7
  5. {molcraft-0.1.0a11.dist-info → molcraft-0.1.0a12.dist-info}/WHEEL +0 -0
  6. {molcraft-0.1.0a11.dist-info → molcraft-0.1.0a12.dist-info}/licenses/LICENSE +0 -0
  7. {molcraft-0.1.0a11.dist-info → molcraft-0.1.0a12.dist-info}/top_level.txt +0 -0
molcraft/__init__.py CHANGED
@@ -1,4 +1,4 @@
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- __version__ = '0.1.0a11'
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+ __version__ = '0.1.0a12'
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  import os
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  os.environ["TF_CPP_MIN_LOG_LEVEL"] = "3"
molcraft/featurizers.py CHANGED
@@ -556,6 +556,7 @@ class MolGraphFeaturizer3D(MolGraphFeaturizer):
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  molecule_feature = self.molecule_feature(mol)
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  molecule_size = self.num_atoms(mol) + int(self.super_atom)
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+ molecule_size = molecule_size.astype(self.index_dtype)
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  if isinstance(context, dict):
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  if 'x' in context:
{molcraft-0.1.0a11.dist-info → molcraft-0.1.0a12.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: molcraft
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- Version: 0.1.0a11
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+ Version: 0.1.0a12
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  Summary: Graph Neural Networks for Molecular Machine Learning
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  Author-email: Alexander Kensert <alexander.kensert@gmail.com>
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  License: MIT License
{molcraft-0.1.0a11.dist-info → molcraft-0.1.0a12.dist-info}/RECORD RENAMED
@@ -1,11 +1,11 @@
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- molcraft/__init__.py,sha256=Huk8xSj59YLku1q0poDWWsKArf7_HULYSFbA9Jpn8u0,464
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+ molcraft/__init__.py,sha256=exZr4HcSy0uUnFlh9cshJrs0MBDP-pXT2MqKjq0a2BY,464
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  molcraft/callbacks.py,sha256=x5HnkZhqcFRrW6xdApt_jZ4X08A-0fxcnFKfdmRKa0c,3571
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  molcraft/chem.py,sha256=JARpv4IgFBtuNia0FLW_VF_DdmaA6e-_eZgH9dFAykA,21796
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  molcraft/conformers.py,sha256=K6ZtiSUNDN_fwqGP9JrPcwALLFFvlMlF_XejEJH3Sr4,4205
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  molcraft/datasets.py,sha256=rFgXTC1ZheLhfgQgcCspP_wEE54a33PIneH7OplbS-8,4047
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  molcraft/descriptors.py,sha256=W8GLuDpc38RtwmreNsPOcn-PRvMjTfVng9ksJwcrVyM,3032
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  molcraft/features.py,sha256=FpvT_9zk9EiOhvrk6OA5eEvUAYalquF7V6IvpiEJCns,13559
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- molcraft/featurizers.py,sha256=A_0wJfvz9JuPEZINi2iZoFNhhHgid608XJTTuVO_jwo,27063
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+ molcraft/featurizers.py,sha256=1xyJ2JroFBHzcheRZ8v9P3bYBIaoiY-WCBdbbqXK4co,27126
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  molcraft/layers.py,sha256=cUpo9dqqNEnc7rNf-Dze8adFhOkTV5F9IhHOKs13OUI,60134
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  molcraft/losses.py,sha256=qnS2yC5g-O3n_zVea9MR6TNiFraW2yqRgePOisoUP4A,1065
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  molcraft/models.py,sha256=0x74B4WsaZgmUrHmpX9YNr9QXqd1rR3QF_ygyegHoXU,21770
@@ -14,8 +14,8 @@ molcraft/records.py,sha256=MbvYkcCunbAmpy_MWXmQ9WBGi2WvwxFUlwQSPKPvSSk,5534
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  molcraft/tensors.py,sha256=EOUKx496KUZsjA1zA2ABc7tU_TW3Jv7AXDsug_QsLbA,22407
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  molcraft/apps/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  molcraft/apps/peptides.py,sha256=N5wJDGDIDRbmOmxin_dTY-odLqb0avAX9FU22U6x6c0,14576
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- molcraft-0.1.0a11.dist-info/licenses/LICENSE,sha256=sbVeqlrtZ0V63uYhZGL5dCxUm8rBAOqe2avyA1zIQNk,1074
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- molcraft-0.1.0a11.dist-info/METADATA,sha256=jIcab-EvRqLHqM13ftx_eWNz5WjPZTkdmdNM8VttMYA,3893
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- molcraft-0.1.0a11.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- molcraft-0.1.0a11.dist-info/top_level.txt,sha256=dENV6MfOceshM6MQCgJlcN1ojZkiCL9B4F7XyUge3QM,9
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- molcraft-0.1.0a11.dist-info/RECORD,,
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+ molcraft-0.1.0a12.dist-info/licenses/LICENSE,sha256=sbVeqlrtZ0V63uYhZGL5dCxUm8rBAOqe2avyA1zIQNk,1074
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+ molcraft-0.1.0a12.dist-info/METADATA,sha256=zMjHudRgekPvWDmQdtV2pW9tyapaYqkntWZ4k3u9X_g,3893
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+ molcraft-0.1.0a12.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ molcraft-0.1.0a12.dist-info/top_level.txt,sha256=dENV6MfOceshM6MQCgJlcN1ojZkiCL9B4F7XyUge3QM,9
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+ molcraft-0.1.0a12.dist-info/RECORD,,