diff --git a/molfeat/calc/fingerprints.py b/molfeat/calc/fingerprints.py index 3130b50..eb89ff9 100644 --- a/molfeat/calc/fingerprints.py +++ b/molfeat/calc/fingerprints.py @@ -172,6 +172,11 @@ "fpSize": 2048, "atomInvariantsGenerator": None, }, + "avalon-count": { + "nBits": 512, + "isQuery": False, + "bitFlags": pyAvalonTools.avalonSimilarityBits, + }, "atompair-count": { "minDistance": 1, "maxDistance": 30,