Merge branch 'train-with-dbs' of github.com:globus-labs/cascade into …

…train-with-dbs

1_ml-potential/mace/0_train-mace.py

@@ -50,6 +50,7 @@
         if not file.endswith('.traj'):
             rng.shuffle(my_atoms)
 
+        # Hash dataset for reproducibility
         for atoms in my_atoms:
             train_hasher.update(atoms.positions.tobytes())
             train_hasher.update(atoms.cell.tobytes())