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fix: readthedocs build
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Kohulan committed Jan 17, 2024
1 parent 63616d6 commit 9846f54
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5 changes: 5 additions & 0 deletions .readthedocs.yml
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Expand Up @@ -11,6 +11,11 @@ build:
python: "3.11"
jobs:
post_install:
- sudo apt-get update
- sudo apt-get install -y software-properties-common
- sudo apt-get update -y
- sudo apt-get install -y openjdk-11-jre
- export JAVA_HOME=/usr/lib/jvm/java-11-openjdk-amd64/
- python -m pip install --no-deps -r docs/extra-requirements.txt

# Build documentation in the "docs/" directory with Sphinx
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5 changes: 2 additions & 3 deletions app/modules/all_descriptors.py
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Expand Up @@ -287,12 +287,11 @@ def get_tanimoto_similarity(smileslist: str, toolkit: str = "cdk") -> list:
Args:
smileslist (str): A comma-separated list of SMILES strings.
toolkit (str, optional): The toolkit to use for calculating similarity.
Can be "cdk" (Chemistry Development Kit) or "rdkit" (RDKit).
Defaults to "cdk".
Can be "cdk" (Chemistry Development Kit) or "rdkit" (RDKit).Defaults to "cdk".
Returns:
list: A matrix containing Tanimoto similarity scores.
Rows and columns correspond to SMILES strings in the input list.
Rows and columns correspond to SMILES strings in the input list.
Raises:
ValueError: If an unsupported toolkit is provided.
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2 changes: 1 addition & 1 deletion docs/tools.rst
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Expand Up @@ -10,7 +10,7 @@ app.modules.tools.surge module
:show-inheritance:

app.modules.tools.sugar_removal module
-------------------------------------
--------------------------------------

.. automodule:: app.modules.tools.sugar_removal
:members:
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