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ZJU-Fangyin / KCL

Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]
MIT License
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请问可以给出一个适用于回归任务的示例吗？ #9

Closed afwefrre closed 2 years ago

afwefrre commented 2 years ago

您好，请问可以给出一个适用于回归任务的示例吗？ 类似于分类任务所给出的这种示例 捕获a

ZJU-Fangyin commented 2 years ago

You just need to replace data_name with the regression dataset. E.g:

CUDA_VISIBLE_DEVICES=0 python finetune.py \
    --seed 12 \
    --encoder_name GNN \
    --batch_size 64 \
    --predictor_hidden_feats 32 \
    --patience 100 \
    --encoder_path ./dump/Pretrain/gnn-kmpnn-model/GCNNodeEncoder_0910_0900_2000th_epoch.pkl \
    --readout_path ./dump/Pretrain/gnn-kmpnn-model/WeightedSumAndMax_0910_0900_2000th_epoch.pkl \
    --lr 0.001 \
    --predictor nonlinear \
    --eval nonfreeze \
    --data_name FreeSolv \
    --dump_path ./dump \
    --exp_name KG-finetune-gnn \
    --exp_id freesolv