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Update README.md
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CYF2000127 authored Oct 9, 2024
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Expand Up @@ -82,8 +82,8 @@ The output dictionary includes the atom sets, bond sets, predicted MolFile, and
### Data preparation
For training and inference, please download the following datasets to your own path.
#### Training datasets
1. **Synthetic:** [PubChem](https://www.dropbox.com/s/mxvm5i8139y5cvk/pubchem.zip?dl=0)
2. **Realistic:** [USPTO](https://www.dropbox.com/s/3podz99nuwagudy/uspto_mol.zip?dl=0)
1. **Synthetic:** [PubChem](https://huggingface.co/datasets/CYF200127/MolNexTR/blob/main/train_pubchem.csv)
2. **Realistic:** [USPTO](https://huggingface.co/datasets/CYF200127/MolNexTR/blob/main/train_uspto.zip)

#### Testing datasets
1. **Synthetic:** [Indigo, ChemDraw](https://huggingface.co/datasets/CYF200127/MolNexTR/blob/main/synthetic.zip)
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