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Update README.md
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CYF2000127 authored Aug 12, 2024
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Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions README.md
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Expand Up @@ -29,11 +29,11 @@ pip install -r requirements.txt
```python
import torch
from MolNexTR import molnextr
IMAGE = './examples/1.png'
MODEL = './checkpoints/molnextr_best.pth'
Image = './examples/1.png'
Model = './checkpoints/molnextr_best.pth'
device = torch.device('cpu')
model = molnextr(MODEL, device)
predictions = model.predict_final_results(IMAGE, return_atoms_bonds=True)
model = molnextr(Model, device)
predictions = model.predict_final_results(Image, return_atoms_bonds=True)
print(predictions)
```
or use [`prediction.ipynb`](prediction.ipynb). You can also change the image and model path to your own images and models.
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