updated req files for dc280

pip/cpu_requirements.txt

@@ -7,7 +7,7 @@
 
 tensorflow-cpu~=2.14.0
 
-torch==2.2.0+cpu
+torch==2.2.1+cpu
 torch_geometric
 lightning
 

pip/cuda_requirements.txt

@@ -4,12 +4,13 @@
 # **Note**: for LC developers, comment out line 3 pypi install and use/uncommenting line 5:
 #--extra-index-url https://wci-repo.llnl.gov/repository/pypi-group/simple
 -f https://data.dgl.ai/wheels/cu118/repo.html
+-f https://download.pytorch.org/whl/cu118/torch_stable.html
 
-tensorflow[and-cuda]~=2.14.0
+tensorflow[and-cuda]~=2.15.0
 
 tensorrt
 
-torch==2.2.0
+torch==2.2.1+cu118
 torch_geometric
 lightning
 
@@ -46,5 +47,6 @@ ipykernel
 deepchem==2.8.0
 rdkit==2024.3.5
 
-# deepchem 2.8 requires lightgbm.                                                                                                                            lightgbm
+# deepchem 2.8 requires lightgbm.
+lightgbm
 pyyaml==5.4.1

pip/docker_requirements.txt

@@ -7,7 +7,7 @@
 
 tensorflow-cpu~=2.14.0
 
-torch==2.2.0+cpu
+torch==2.2.1+cpu
 torch_geometric
 lightning
 
@@ -46,5 +46,6 @@ jupyterlab
 deepchem==2.8.0
 rdkit==2024.3.5
 
-# deepchem 2.8 requires lightgbm.                                                                                                                            lightgbm
+# deepchem 2.8 requires lightgbm. 
+lightgbm
 pyyaml==5.4.1

pip/mchip_requirements.txt

@@ -8,7 +8,7 @@
 # use tensorflow not tensorflow-cpu for arm. see https://www.tensorflow.org/install/pip#linux
 tensorflow~=2.14.0
 
-torch==2.2.0+cpu
+torch==2.2.1+cpu
 torch_geometric
 lightning
 
@@ -44,7 +44,7 @@ ipykernel
 notebook
 jupyterlab
 
-deepchem==2.7.1
+deepchem==2.8.0
 rdkit==2024.3.5
 
 # deepchem requires lightgbm. need to check if it works for macOS. https://pypi.org/project/lightgbm/