Merge branch 'main' into farhadr/infer_docs

NVIDIA · Nov 18, 2024 · 8146dae · 8146dae
2 parents 01c3201 + 02d459a
commit 8146dae
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diff --git a/sub-packages/bionemo-core/tests/bionemo/core/data/test_load.py b/sub-packages/bionemo-core/tests/bionemo/core/data/test_load.py
@@ -269,6 +269,7 @@ def test_default_pbss_client():
     assert client.meta.endpoint_url == "https://pbss.s8k.io"
 
 
+@pytest.mark.xfail(reason="Logging into NGC is not required to download artifacts in BioNeMo.")
 def test_default_ngc_client():
     clt = default_ngc_client()
     assert clt.api_key is not None

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