pip install -r requirements.txt ## clone repo git clone https://github.com/dptech-corp/Uni-Mol.git Expand All @@ -18,9 +19,6 @@ cd Uni-Mol/unimol_tools/unimol_tools ## download pretrained weights wget https://github.com/dptech-corp/Uni-Mol/releases/download/v0.1/mol_pre_all_h_...
data_path="./molecular_property_prediction" # replace to your data path save_dir="./save_finetune" # replace to your save path n_gpu=4 MASTER_PORT=10086 dict_name="dict.txt" weight_path="./weights/checkpoint.pt" # replace to your ckpt path task_name="qm9dft" # molecular property ...