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pip/cpu_requirements.txt
@@ -10,13 +10,14 @@
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tensorflow-cpu~=2.14.0
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-torch==2.1.2
+torch==2.2.1+cpu
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torch_geometric
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lightning
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+--find-links https://data.dgl.ai/wheels/torch-2.1/repo.html
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dgl==2.1.0
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dgllife
-scipy>=1.10
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+#scipy>=1.10
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numpy<2
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scikit-learn==1.2.2
@@ -48,6 +49,10 @@ mordred
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pytest
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ipykernel
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-deepchem==2.7.1
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+deepchem==2.8
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rdkit==2024.3.5
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+# deepchem 2.8 requires lightgbm.
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+lightgbm
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+
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pyyaml>=6.0
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