pkg moleculeace

mims-harvard · Aug 19, 2024 · f076ab9 · f076ab9
1 parent d420244
commit f076ab9
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diff --git a/environment.yml b/environment.yml
@@ -26,6 +26,7 @@ dependencies:
     - dgl==1.1.3
     - evaluate==0.4.2
     - gget==0.28.4
+    - moleculeace=3.0.0
     - pydantic==2.6.3
     - gget==0.28.4
     - pydantic==2.6.3

diff --git a/requirements.txt b/requirements.txt
@@ -5,6 +5,7 @@ datasets==2.20.0
 evaluate==0.4.2
 fuzzywuzzy>=0.18.0,<1.0
 huggingface_hub>=0.20.3,<1.0
+moleculeace==3.0.0
 mygene>=3.2.2,<4.0.0
 numpy>=1.26.4,<2.0.0
 openpyxl>=3.0.10,<4.0.0