From 9feecea9a73690b5a99c39714d9da5122dd08a6d Mon Sep 17 00:00:00 2001 From: TieuLongPhan Date: Mon, 9 Dec 2024 09:24:37 +0100 Subject: [PATCH] update readme.md --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 14c6517..6057741 100644 --- a/README.md +++ b/README.md @@ -82,6 +82,8 @@ If you want to run ensemble AAMs ``` pip install syntemp ``` + Optional if you want to install full version + ``` pip install syntemp[all] ``` @@ -118,7 +120,6 @@ If you want to run ensemble AAMs safe_mode=False, save_dir=None, fix_hydrogen=True, - refinement_its=False, ) (gml_rules, reaction_dicts, templates, hier_templates,