Add module description docstrings.

chemle · Oct 25, 2024 · bf5851a · bf5851a
1 parent 620be3d
commit bf5851a
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diff --git a/emle/__init__.py b/emle/__init__.py
@@ -25,6 +25,13 @@
 # avoid severe module import overheads when running the client code,
 # which requires no EMLE functionality.
 
+"""
+Electrostatic Machine-Learned Embedding.
+
+emle is a package for the calculation of electrostatic interactions in
+molecular systems.
+"""
+
 from ._version import get_versions
 
 __version__ = get_versions()["version"]

diff --git a/emle/models/__init__.py b/emle/models/__init__.py
@@ -25,6 +25,10 @@
 # avoid severe module import overheads when running the client code,
 # which requires no EMLE functionality.
 
+"""
+Torch modules for EMLE calculations.
+"""
+
 from ._emle_base import EMLEBase
 from ._emle import EMLE
 from ._ani import ANI2xEMLE