requirements_cpu.txt

#cuda fails with torch-scatter == 2.1.2 & torch 2.1.0
torch == 2.1.0
torch_geometric >= 2.1
#torch-scatter == 2.1.2 # if hangs get your specific one here: https://data.pyg.org/whl/torch-2.1.2+cu121.html or https://data.pyg.org/whl/torch-2.1.2%2Bcpu.html
rdkit~=2023.9.5
dgl~=1.1.3
pandas~=2.2.0
numpy~=1.26.3
pyarrow
openpyxl
dgllife~=0.3.2
matplotlib~=3.8.3
seaborn~=0.13.2
CIRpy~=1.0.2
tqdm~=4.66.1
scikit-learn~=1.4.1.post1
ray~=2.10.0 #cuda fails with torch-scatter == 2.1.2 & torch 2.1.0
scikit-learn
ConfigSpace