SMILES Pair Encoding (JCIM) first learns a vocabulary of high frequency SMILES substrings from a large chemical dataset (e.g., ChEMBL) and then tokenizes SMILES based on the learned vocabulary for ...
Reminder I have read the above rules and searched the existing issues. System Info cpu:INTEL (R) XEON (R) GOLD 6530 * 2 GPU: L20*8 NVIDIA-SMI 575.57.08 Driver Version: 575.57.08 CUDA Version: 12.9 ...
4.2 Implementation details The model that was used in this experiment was coded in Python as a PyTorch-based deep learning pipeline and scikit-learn-based evaluation performance. Training used NVIDIA ...
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