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Contributing | ||
== | ||
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Pull Request | ||
-- | ||
1. Open issue and discuss (strongly recommended) | ||
2. Create Pull Request | ||
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Points | ||
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* one descriptor per one PR | ||
* refer article | ||
* write test | ||
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* check values matching with other software or article (required) | ||
* check invariants (if possible) | ||
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3. Passing all tests | ||
4. Review | ||
5. Merge | ||
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Reporting bugs / Question | ||
-- | ||
Please fill [template](/issues/new?template=bugs.md). |
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# description | ||
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# minimal reproduction code (if possible) | ||
Please fill me. | ||
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# minimal reproduction code | ||
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Please fill me if possible. | ||
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# environment | ||
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## OS/distribution | ||
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Please fill me. | ||
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## conda or pip | ||
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Please choose conda or pip. | ||
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## python version | ||
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Please execute the command and paste result. | ||
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```.bash | ||
python --version | ||
``` | ||
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## library version | ||
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conda | ||
Please execute the command and paste result. | ||
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```.bash | ||
conda list | ||
``` | ||
* conda | ||
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pip | ||
```.bash | ||
conda list | ||
``` | ||
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```.bash | ||
pip list | ||
python -c 'import rdkit; print("rdkit " + rdkit.__version__)' | ||
``` | ||
* pip | ||
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```.bash | ||
python -m pip list | ||
python -c 'import rdkit; print("rdkit " + rdkit.__version__)' | ||
``` |
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