additional documentation

nfp/layers/__init__.py

@@ -1,2 +1,7 @@
+"""
+Keras layers that handle the node, edge, and connectivity features returned by
+the preprocessor classes.
+"""
+
 from .graph_layers import EdgeUpdate, GlobalUpdate, NodeUpdate
 from .layers import *

nfp/models/__init__.py

@@ -1 +1,4 @@
+"""
+Tensorflow loss functions that accept masked true values (with np.nan)
+"""
 from .losses import *

nfp/preprocessing/__init__.py

@@ -1,2 +1,6 @@
+"""
+Utilities for converting graphs into sets of tensors for machine learning models
+"""
+
 from .crystal_preprocessor import *
 from .mol_preprocessor import *

nfp/preprocessing/preprocessor.py

@@ -187,7 +187,11 @@ def construct_feature_matrices(self,
                                    *args,
                                    train=False,
                                    **kwargs) -> Dict[str, np.ndarray]:
-        """DEPRECATED, use __call__ instead"""
+        """
+        .. deprecated:: 0.3.0
+            `construct_feature_matrices` will be removed in 0.4.0, use
+            `__call__` instead
+        """
         warnings.warn(
             "construct_feature_matrices is deprecated, use `call` instead as "
             "of nfp 0.4.0", DeprecationWarning)