add rdkit dependency to bionemo-geometric (#432)

--- Added RDkit as dependency to bionemo-geometric If it is a code change, Be sure to answer:_ - Added RDkit dependency to bionemo-geometric - Enables all small molecules functions with RDkit - Use as `import rdkit` ---
NVIDIA · Nov 15, 2024 · 5147cb8 · 5147cb8
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commit 5147cb8
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diff --git a/sub-packages/bionemo-geometric/pyproject.toml b/sub-packages/bionemo-geometric/pyproject.toml
@@ -19,6 +19,7 @@ dependencies = [
     'torch-geometric==2.5.0',
     'torch-scatter==2.1.2',
     'torch_sparse==0.6.18',
+    'rdkit==2023.9.6',
 ]
 
 [tool.setuptools.packages.find]

diff --git a/sub-packages/bionemo-geometric/requirements.txt b/sub-packages/bionemo-geometric/requirements.txt
@@ -4,3 +4,4 @@ torch-cluster==1.6.3
 torch-geometric==2.5.0
 torch-scatter==2.1.2
 torch_sparse==0.6.18
+rdkit==2023.9.6