Fix for failing avalon-count FPCalculator #111
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Avalon count calculator fails due to missing default params in FP_DEF_PARAMS dictionary. Simple fix by adding default parameters for avalon-count fingerprints.
zhu0619
approved these changes
Nov 20, 2024
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@alkorolyov-selvita
Thank you for fixing this!
Could you format the code using black molfeat/calc/fingerprints.py?
The installation: pip install black>=24
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Avalon-count calculator fails to initialize due to missing default params in FP_DEF_PARAMS dictionary. Simple fix by adding default parameters for avalon-count fingerprints.
Changelogs
Updated FP_DEF_PARAMS dictionary.