Restructure custom_data_cached.yaml

Use custom_data.yaml as default and only specify things that change with caching (i.e. the transforms)

src/schnetpack_gschnet/configs/data/custom_data_cached.yaml

@@ -1,15 +1,5 @@
-_target_: schnetpack_gschnet.data.GenerativeAtomsDataModule
-
-data_workdir: ${globals.data_workdir}  # is specified in yaml-file of the experiment
-placement_cutoff: ${globals.placement_cutoff}
-use_covalent_radii: ${globals.use_covalent_radii}
-covalent_radius_factor: ${globals.covalent_radius_factor}
-num_workers: 8
-
-datapath: ???    # path to the custom data base
-batch_size: ???  # number of molecules per batch for training
-num_train: ???   # number of molecules used for training
-num_val: ???     # number of molecules used for validation (rest is put into test split)
+defaults:
+  - custom_data
 
 transforms:
   - _target_: schnetpack.transform.SubtractCenterOfMass