From 7c12ab9a9970a817b9c752816c62739d95a76974 Mon Sep 17 00:00:00 2001 From: Philipp Guevorguian Date: Wed, 3 Apr 2024 00:52:19 +0400 Subject: [PATCH] apply rounding to similarity values --- chemlactica/utils/text_format_utils.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/chemlactica/utils/text_format_utils.py b/chemlactica/utils/text_format_utils.py index 4d5c56f..bc21f13 100644 --- a/chemlactica/utils/text_format_utils.py +++ b/chemlactica/utils/text_format_utils.py @@ -111,7 +111,8 @@ def format_key_value(key, value, rng): # value = random.sample(value, 5) value = rng.choice(value, size=10, replace=False, shuffle=False) for pair in value: - formatted_string += f"{SPECIAL_TAGS['similarity']['start']}{pair['SMILES']} {pair['similarity']}{SPECIAL_TAGS['similarity']['end']}" # noqa + rounded_sim = "{:.2f}".format(float(pair["similarity"])) + formatted_string += f"{SPECIAL_TAGS['similarity']['start']}{pair['SMILES']} {rounded_sim}{SPECIAL_TAGS['similarity']['end']}" # noqa elif key == "experimental": for pair in value: formatted_string += (