Closed drorhunvural closed 1 year ago
You are giving code block below as an example for Training Classifier
python train.py -m model.py --train_types scPDB_train0.types --test_types scPDB_test0.types -i 200000 --train_recmolcache scPDB_new.molcache2 --test_recmolcache scPDB_new.molcache2 -r val0 -o /model_saves/val9 --base_lr 0.001 --solver Adam
You are using --data_dir (-d) in train.py as below
eptrain = molgrid.ExampleProvider(shuffle=True, stratify_receptor=True, labelpos=0,balanced=True, data_root=args.data_dir,recmolcache=args.train_recmolcache)
Where are you reading data_dir from? The training classifier example you shared does not have data_dir in the code block ? '
The data_dir argument is ignored (despite being passed) for the classification model as all the required data is present in the molcache files. It becomes relevant for the segmentation models
You are giving code block below as an example for Training Classifier
python train.py -m model.py --train_types scPDB_train0.types --test_types scPDB_test0.types -i 200000 --train_recmolcache scPDB_new.molcache2 --test_recmolcache scPDB_new.molcache2 -r val0 -o /model_saves/val9 --base_lr 0.001 --solver Adam
You are using --data_dir (-d) in train.py as below
Where are you reading data_dir from? The training classifier example you shared does not have data_dir in the code block ? '