molcraft 0.1.0a11__tar.gz → 0.1.0a12__tar.gz

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  1. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/PKG-INFO +1 -1
  2. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/__init__.py +1 -1
  3. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/featurizers.py +1 -0
  4. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft.egg-info/PKG-INFO +1 -1
  5. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/LICENSE +0 -0
  6. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/README.md +0 -0
  7. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/apps/__init__.py +0 -0
  8. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/apps/peptides.py +0 -0
  9. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/callbacks.py +0 -0
  10. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/chem.py +0 -0
  11. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/conformers.py +0 -0
  12. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/datasets.py +0 -0
  13. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/descriptors.py +0 -0
  14. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/features.py +0 -0
  15. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/layers.py +0 -0
  16. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/losses.py +0 -0
  17. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/models.py +0 -0
  18. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/ops.py +0 -0
  19. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/records.py +0 -0
  20. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/tensors.py +0 -0
  21. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft.egg-info/SOURCES.txt +0 -0
  22. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft.egg-info/dependency_links.txt +0 -0
  23. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft.egg-info/requires.txt +0 -0
  24. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft.egg-info/top_level.txt +0 -0
  25. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/pyproject.toml +0 -0
  26. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/setup.cfg +0 -0
  27. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/tests/test_chem.py +0 -0
  28. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/tests/test_featurizers.py +0 -0
  29. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/tests/test_layers.py +0 -0
  30. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/tests/test_losses.py +0 -0
  31. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/tests/test_models.py +0 -0
  32. {molcraft-0.1.0a11 → molcraft-0.1.0a12}/tests/test_tensors.py +0 -0
{molcraft-0.1.0a11 → molcraft-0.1.0a12}/PKG-INFO 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 → molcraft-0.1.0a12}/molcraft/__init__.py RENAMED
@@ -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-0.1.0a11 → molcraft-0.1.0a12}/molcraft/featurizers.py RENAMED
@@ -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 → molcraft-0.1.0a12}/molcraft.egg-info/PKG-INFO 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 → molcraft-0.1.0a12}/LICENSE RENAMED
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{molcraft-0.1.0a11 → molcraft-0.1.0a12}/README.md RENAMED
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{molcraft-0.1.0a11 → molcraft-0.1.0a12}/molcraft/ops.py RENAMED
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{molcraft-0.1.0a11 → molcraft-0.1.0a12}/pyproject.toml RENAMED
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{molcraft-0.1.0a11 → molcraft-0.1.0a12}/setup.cfg RENAMED
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