From b77e35f406d37b8328c7a90f137c2a3bac08058b Mon Sep 17 00:00:00 2001 From: Katharina Date: Mon, 13 May 2024 14:51:58 +0200 Subject: [PATCH] changed path --- .../1_4_custom_filters_pairwise_retrosynthesizability.ipynb | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/notebooks/custom_kinfraglib/1_4_custom_filters_pairwise_retrosynthesizability.ipynb b/notebooks/custom_kinfraglib/1_4_custom_filters_pairwise_retrosynthesizability.ipynb index 4c23ef69..1f9fd544 100644 --- a/notebooks/custom_kinfraglib/1_4_custom_filters_pairwise_retrosynthesizability.ipynb +++ b/notebooks/custom_kinfraglib/1_4_custom_filters_pairwise_retrosynthesizability.ipynb @@ -1144,7 +1144,7 @@ "-------\n", "DataFrame\n", " SMILES from valid paired fragments.\n", - "\u001b[0;31mFile:\u001b[0m ~/hiwi/KinFragLib/kinfraglib/filters/retro.py\n", + "\u001b[0;31mFile:\u001b[0m ~/KinFragLib/kinfraglib/filters/retro.py\n", "\u001b[0;31mType:\u001b[0m function" ] } @@ -1245,8 +1245,8 @@ "Checking if all fragment pairs were requested..\n", "All fragment pairs were requested.\n", "Done.\n", - "CPU times: user 7min, sys: 4.03 s, total: 7min 4s\n", - "Wall time: 7min 53s\n" + "CPU times: user 6min 58s, sys: 4.37 s, total: 7min 3s\n", + "Wall time: 7min 48s\n" ] } ],