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Huhujingjing/custom-gcn
custom-gcn is a graph machine learning model from Huhujingjing. Use it for the graph machine learning task on the model card, and read the license before you ship it in a product. It is set up for transformers. The card lists the license as mit.
Downloads · 30 days
31
2% of all-time downloads
All-time downloads
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.bin35.7 KB · 72%
From the Hugging Face model README
pip install torch_scatter rdkit
pip install torch_geometric
from transformers import AutoModel
device = 'cpu'
smiles = ['CCCC', 'C#C/C(C)=C(/[CH2])C', 'NNNNN']
model = AutoModel.from_pretrained("Huhujingjing/custom-gcn", trust_remote_code=True).to(device)
output = model.predict_smiles(smiles)
print(output)