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Added default params for avalon-count fingerprint
Avalon count calculator fails due to missing default params in FP_DEF_PARAMS dictionary. Simple fix by adding default parameters for avalon-count fingerprints.
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molfeat/calc/fingerprints.py

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@@ -172,6 +172,11 @@
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"fpSize": 2048,
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"atomInvariantsGenerator": None,
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},
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"avalon-count": {
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"nBits": 512,
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"isQuery": False,
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"bitFlags": pyAvalonTools.avalonSimilarityBits,
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},
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"atompair-count": {
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"minDistance": 1,
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"maxDistance": 30,

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