bayesianflow-for-chem 2.0.4__tar.gz → 2.0.5__tar.gz
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- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/PKG-INFO +1 -1
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/__init__.py +1 -1
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/cli.py +1 -3
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem.egg-info/PKG-INFO +1 -1
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/LICENSE +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/README.md +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/data.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/model.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/scorer.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/spectra.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/tool.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/train.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/vocab.txt +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem.egg-info/SOURCES.txt +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem.egg-info/dependency_links.txt +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem.egg-info/entry_points.txt +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem.egg-info/requires.txt +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem.egg-info/top_level.txt +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/pyproject.toml +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/setup.cfg +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/setup.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/test/test_merge_lora.py +0 -0
- {bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/test/test_molecular_embedding.py +0 -0
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@@ -377,9 +377,7 @@ def main_script(version: str) -> None:
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def selfies2token(s):
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return torch.tensor(
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[1]
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+ [vocab_dict.get(i, default=unknown_idx) for i in split_selfies(s)]
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+ [2],
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[1] + [vocab_dict.get(i, unknown_idx) for i in split_selfies(s)] + [2],
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dtype=torch.long,
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)
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{bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/bayesianflow_for_chem/spectra.py
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{bayesianflow_for_chem-2.0.4 → bayesianflow_for_chem-2.0.5}/test/test_molecular_embedding.py
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