Processed training dataset for finetuning pocket-based molecular generation task in Token-Mol 1.0
收藏NIAID Data Ecosystem2026-05-02 收录
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资源简介：
Processed CrossDocked2020 dataset for training pocket-based molecular generation task in Token-Mol 1.0. `protein_represent.pkl` is the representation embedding of protein pocket encoded with ResGen encoder. `mol_input.pkl` is the corresponding ligands to the pocket in the training set presented as SMILES strings, which haved been tokenized.
创建时间：
2025-04-11
