torch==2.1.0
torch_geometric>=2.1
torch-scatter
rdkit~=2023.9.5
dgl~=2.0.0
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
