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OpenDAS
torchani
Commits
ac736c33
Commit
ac736c33
authored
Jul 31, 2019
by
Ignacio Pickering
Committed by
Gao, Xiang
Jul 31, 2019
Browse files
Small doc fixes (#270)
parent
c1cd3f2a
Changes
3
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4 additions
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2 deletions
+4
-2
docs/api.rst
docs/api.rst
+0
-1
docs/conf.py
docs/conf.py
+2
-0
torchani/models.py
torchani/models.py
+2
-1
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docs/api.rst
View file @
ac736c33
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@@ -56,7 +56,6 @@ NeuroChem
.. autofunction:: torchani.neurochem.load_atomic_network
.. autofunction:: torchani.neurochem.load_model
.. autofunction:: torchani.neurochem.load_model_ensemble
.. autoclass:: torchani.neurochem.Builtins
.. autoclass:: torchani.neurochem.Trainer
:members:
.. automodule:: torchani.neurochem.trainer
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docs/conf.py
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ac736c33
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@@ -26,6 +26,8 @@ pygments_style = 'sphinx'
html_theme
=
'sphinx_rtd_theme'
html_theme_path
=
[
sphinx_rtd_theme
.
get_html_theme_path
()]
htmlhelp_basename
=
'TorchANIdoc'
# Temporary fix for bug in HTML5 support in the RTD theme
html4_writer
=
True
sphinx_gallery_conf
=
{
'examples_dirs'
:
'../examples'
,
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...
torchani/models.py
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ac736c33
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@@ -7,7 +7,8 @@ these are subclasses of :class:`torch.nn.Module`.
To use the models just instantiate them and either
directly calculate energies or get an ASE calculator. For example:
.. code:: python
.. code-block:: python
ani1x = torchani.models.ANI1x()
# compute energy using ANI-1x model ensemble
_, energies = ani1x((species, coordinates))
...
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