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<!DOCTYPE html>
<html class="writer-html5" lang="en" >
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Index — molgrid documentation</title>
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<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
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<h1 id="index">Index</h1>
<div class="genindex-jumpbox">
<a href="#A"><strong>A</strong></a>
| <a href="#B"><strong>B</strong></a>
| <a href="#C"><strong>C</strong></a>
| <a href="#D"><strong>D</strong></a>
| <a href="#E"><strong>E</strong></a>
| <a href="#F"><strong>F</strong></a>
| <a href="#G"><strong>G</strong></a>
| <a href="#H"><strong>H</strong></a>
| <a href="#I"><strong>I</strong></a>
| <a href="#L"><strong>L</strong></a>
| <a href="#M"><strong>M</strong></a>
| <a href="#N"><strong>N</strong></a>
| <a href="#P"><strong>P</strong></a>
| <a href="#Q"><strong>Q</strong></a>
| <a href="#R"><strong>R</strong></a>
| <a href="#S"><strong>S</strong></a>
| <a href="#T"><strong>T</strong></a>
| <a href="#W"><strong>W</strong></a>
</div>
<h2 id="A">A</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProviderSettings.add_hydrogens">add_hydrogens (molgrid.ExampleProviderSettings property)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleVec.append">append() (molgrid.ExampleVec method)</a>
</li>
<li><a href="index.html#molgrid.AtomTyper">AtomTyper (class in molgrid)</a>
</li>
</ul></td>
</tr></table>
<h2 id="B">B</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.GridMaker.backward">backward() (molgrid.GridMaker method)</a>
<ul>
<li><a href="index.html#molgrid.torch_bindings.BatchedCoords2GridFunction.backward">(molgrid.torch_bindings.BatchedCoords2GridFunction static method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Coords2GridFunction.backward">(molgrid.torch_bindings.Coords2GridFunction static method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Grid2CoordsGradientFunction.backward">(molgrid.torch_bindings.Grid2CoordsGradientFunction static method)</a>
</li>
<li><a href="index.html#molgrid.Transform.backward">(molgrid.Transform method)</a>
</li>
</ul></li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.GridMaker.backward_gradients">backward_gradients() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.balanced">balanced (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.BatchedCoords2GridFunction">BatchedCoords2GridFunction (class in molgrid.torch_bindings)</a>
</li>
</ul></td>
</tr></table>
<h2 id="C">C</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProviderSettings.cache_structs">cache_structs (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.CartesianGrid">CartesianGrid (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.CartesianGrid.center">center() (molgrid.CartesianGrid method)</a>
<ul>
<li><a href="index.html#molgrid.CoordinateSet.center">(molgrid.CoordinateSet method)</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.CoordinateSet.clone">clone() (molgrid.CoordinateSet method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.MolDataset.collateMolDataset">collateMolDataset() (molgrid.torch_bindings.MolDataset static method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.Quaternion.conj">conj() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.Example.coord_sets">coord_sets (molgrid.Example property)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet">CoordinateSet (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.coords">coords (molgrid.CoordinateSet property)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Coords2Grid">Coords2Grid (class in molgrid.torch_bindings)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Coords2GridFunction">Coords2GridFunction (class in molgrid.torch_bindings)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.copyTo">copyTo() (molgrid.CoordinateSet method)</a>
</li>
</ul></td>
</tr></table>
<h2 id="D">D</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProviderSettings.data_root">data_root (molgrid.ExampleProviderSettings property)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProviderSettings.default_batch_size">default_batch_size (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.duplicate_first">duplicate_first (molgrid.ExampleProviderSettings property)</a>
</li>
</ul></td>
</tr></table>
<h2 id="E">E</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ElementIndexTyper">ElementIndexTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.Example">Example (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider">ExampleProvider (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings">ExampleProviderSettings (class in molgrid)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleVec">ExampleVec (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.ExampleVec.extend">extend() (molgrid.ExampleVec method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Coords2Grid.extra_repr">extra_repr() (molgrid.torch_bindings.Coords2Grid method)</a>
</li>
<li><a href="index.html#molgrid.ExampleVec.extract_label">extract_label() (molgrid.ExampleVec method)</a>
</li>
<li><a href="index.html#molgrid.ExampleVec.extract_labels">extract_labels() (molgrid.ExampleVec method)</a>
</li>
</ul></td>
</tr></table>
<h2 id="F">F</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.FileAtomMapper">FileAtomMapper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.FileMappedElementTyper">FileMappedElementTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.FileMappedGninaTyper">FileMappedGninaTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.forward">forward() (molgrid.GridMaker method)</a>
<ul>
<li><a href="index.html#molgrid.torch_bindings.BatchedCoords2GridFunction.forward">(molgrid.torch_bindings.BatchedCoords2GridFunction static method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Coords2Grid.forward">(molgrid.torch_bindings.Coords2Grid method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Coords2GridFunction.forward">(molgrid.torch_bindings.Coords2GridFunction static method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Grid2CoordsGradientFunction.forward">(molgrid.torch_bindings.Grid2CoordsGradientFunction static method)</a>
</li>
<li><a href="index.html#molgrid.Transform.forward">(molgrid.Transform method)</a>
</li>
</ul></li>
</ul></td>
</tr></table>
<h2 id="G">G</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ElementIndexTyper.get_atom_type_index">get_atom_type_index() (molgrid.ElementIndexTyper method)</a>
<ul>
<li><a href="index.html#molgrid.FileMappedElementTyper.get_atom_type_index">(molgrid.FileMappedElementTyper method)</a>
</li>
<li><a href="index.html#molgrid.FileMappedGninaTyper.get_atom_type_index">(molgrid.FileMappedGninaTyper method)</a>
</li>
<li><a href="index.html#molgrid.GninaIndexTyper.get_atom_type_index">(molgrid.GninaIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.NullIndexTyper.get_atom_type_index">(molgrid.NullIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.PythonCallbackIndexTyper.get_atom_type_index">(molgrid.PythonCallbackIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.SubsettedElementTyper.get_atom_type_index">(molgrid.SubsettedElementTyper method)</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.GninaVectorTyper.get_atom_type_vector">get_atom_type_vector() (molgrid.GninaVectorTyper method)</a>
<ul>
<li><a href="index.html#molgrid.PythonCallbackVectorTyper.get_atom_type_vector">(molgrid.PythonCallbackVectorTyper method)</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.GridMaker.get_binary">get_binary() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.get_dimension">get_dimension() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.get_gpu_device">get_gpu_device() (in module molgrid)</a>
</li>
<li><a href="index.html#molgrid.get_gpu_enabled">get_gpu_enabled() (in module molgrid)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider.get_large_epoch_num">get_large_epoch_num() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.FileAtomMapper.get_new_type">get_new_type() (molgrid.FileAtomMapper method)</a>
<ul>
<li><a href="index.html#molgrid.SubsetAtomMapper.get_new_type">(molgrid.SubsetAtomMapper method)</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.Transform.get_quaternion">get_quaternion() (molgrid.Transform method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.get_radii_type_indexed">get_radii_type_indexed() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.get_resolution">get_resolution() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.Transform.get_rotation_center">get_rotation_center() (molgrid.Transform method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider.get_small_epoch_num">get_small_epoch_num() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.Transform.get_translation">get_translation() (molgrid.Transform method)</a>
</li>
<li><a href="index.html#molgrid.ElementIndexTyper.get_type_names">get_type_names() (molgrid.ElementIndexTyper method)</a>
<ul>
<li><a href="index.html#molgrid.ExampleProvider.get_type_names">(molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.FileAtomMapper.get_type_names">(molgrid.FileAtomMapper method)</a>
</li>
<li><a href="index.html#molgrid.FileMappedElementTyper.get_type_names">(molgrid.FileMappedElementTyper method)</a>
</li>
<li><a href="index.html#molgrid.FileMappedGninaTyper.get_type_names">(molgrid.FileMappedGninaTyper method)</a>
</li>
<li><a href="index.html#molgrid.GninaIndexTyper.get_type_names">(molgrid.GninaIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.GninaVectorTyper.get_type_names">(molgrid.GninaVectorTyper method)</a>
</li>
<li><a href="index.html#molgrid.NullIndexTyper.get_type_names">(molgrid.NullIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.PythonCallbackIndexTyper.get_type_names">(molgrid.PythonCallbackIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.PythonCallbackVectorTyper.get_type_names">(molgrid.PythonCallbackVectorTyper method)</a>
</li>
<li><a href="index.html#molgrid.SubsetAtomMapper.get_type_names">(molgrid.SubsetAtomMapper method)</a>
</li>
<li><a href="index.html#molgrid.SubsettedElementTyper.get_type_names">(molgrid.SubsettedElementTyper method)</a>
</li>
</ul></li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ElementIndexTyper.get_type_radii">get_type_radii() (molgrid.ElementIndexTyper method)</a>
<ul>
<li><a href="index.html#molgrid.FileMappedElementTyper.get_type_radii">(molgrid.FileMappedElementTyper method)</a>
</li>
<li><a href="index.html#molgrid.FileMappedGninaTyper.get_type_radii">(molgrid.FileMappedGninaTyper method)</a>
</li>
<li><a href="index.html#molgrid.GninaIndexTyper.get_type_radii">(molgrid.GninaIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.NullIndexTyper.get_type_radii">(molgrid.NullIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.SubsettedElementTyper.get_type_radii">(molgrid.SubsettedElementTyper method)</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.GninaIndexTyper">GninaIndexTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.GninaVectorTyper">GninaVectorTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.CartesianGrid.grid">grid() (molgrid.CartesianGrid method)</a>
</li>
<li><a href="index.html#molgrid.torch_bindings.Grid2CoordsGradientFunction">Grid2CoordsGradientFunction (class in molgrid.torch_bindings)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.grid_dimensions">grid_dimensions() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker">GridMaker (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.Example.group">group (molgrid.Example property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.group_batch_size">group_batch_size (molgrid.ExampleProviderSettings property)</a>
</li>
</ul></td>
</tr></table>
<h2 id="H">H</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.Example.has_index_types">has_index_types() (molgrid.Example method)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.has_indexed_types">has_indexed_types() (molgrid.CoordinateSet method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.CoordinateSet.has_vector_types">has_vector_types() (molgrid.CoordinateSet method)</a>
<ul>
<li><a href="index.html#molgrid.Example.has_vector_types">(molgrid.Example method)</a>
</li>
</ul></li>
</ul></td>
</tr></table>
<h2 id="I">I</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.Quaternion.inverse">inverse() (molgrid.Quaternion method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProviderSettings.iteration_scheme">iteration_scheme (molgrid.ExampleProviderSettings property)</a>
</li>
</ul></td>
</tr></table>
<h2 id="L">L</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProviderSettings.labelpos">labelpos (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.Example.labels">labels (molgrid.Example property)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProvider.large_epoch_size">large_epoch_size() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.ligmolcache">ligmolcache (molgrid.ExampleProviderSettings property)</a>
</li>
</ul></td>
</tr></table>
<h2 id="M">M</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.torch_bindings.make_grid_tensor">make_grid_tensor() (in module molgrid.torch_bindings)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.make_ndarray">make_ndarray() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.make_tensor">make_tensor() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.make_vector_types">make_vector_types (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.make_vector_types">make_vector_types() (molgrid.CoordinateSet method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.max_group_size">max_group_size (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.max_type">max_type (molgrid.CoordinateSet property)</a>
</li>
<li><a href="index.html#molgrid.Example.merge_coordinates">merge_coordinates() (molgrid.Example method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li>
module
<ul>
<li><a href="index.html#module-molgrid">molgrid</a>
</li>
<li><a href="index.html#module-molgrid.torch_bindings">molgrid.torch_bindings</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.torch_bindings.MolDataset">MolDataset (class in molgrid.torch_bindings)</a>
</li>
<li>
molgrid
<ul>
<li><a href="index.html#module-molgrid">module</a>
</li>
</ul></li>
<li>
molgrid.torch_bindings
<ul>
<li><a href="index.html#module-molgrid.torch_bindings">module</a>
</li>
</ul></li>
</ul></td>
</tr></table>
<h2 id="N">N</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProvider.next">next() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider.next_batch">next_batch() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.Quaternion.norm">norm() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.NullIndexTyper">NullIndexTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.Example.num_coordinates">num_coordinates() (molgrid.Example method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.num_copies">num_copies (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider.num_labels">num_labels() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.num_types">num_types() (molgrid.CoordinateSet method)</a>
<ul>
<li><a href="index.html#molgrid.ElementIndexTyper.num_types">(molgrid.ElementIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.Example.num_types">(molgrid.Example method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider.num_types">(molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.FileAtomMapper.num_types">(molgrid.FileAtomMapper method)</a>
</li>
<li><a href="index.html#molgrid.FileMappedElementTyper.num_types">(molgrid.FileMappedElementTyper method)</a>
</li>
<li><a href="index.html#molgrid.FileMappedGninaTyper.num_types">(molgrid.FileMappedGninaTyper method)</a>
</li>
<li><a href="index.html#molgrid.GninaIndexTyper.num_types">(molgrid.GninaIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.GninaVectorTyper.num_types">(molgrid.GninaVectorTyper method)</a>
</li>
<li><a href="index.html#molgrid.NullIndexTyper.num_types">(molgrid.NullIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.PythonCallbackIndexTyper.num_types">(molgrid.PythonCallbackIndexTyper method)</a>
</li>
<li><a href="index.html#molgrid.PythonCallbackVectorTyper.num_types">(molgrid.PythonCallbackVectorTyper method)</a>
</li>
<li><a href="index.html#molgrid.SubsetAtomMapper.num_types">(molgrid.SubsetAtomMapper method)</a>
</li>
<li><a href="index.html#molgrid.SubsettedElementTyper.num_types">(molgrid.SubsettedElementTyper method)</a>
</li>
</ul></li>
</ul></td>
</tr></table>
<h2 id="P">P</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProvider.populate">populate() (molgrid.ExampleProvider method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.PythonCallbackIndexTyper">PythonCallbackIndexTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.PythonCallbackVectorTyper">PythonCallbackVectorTyper (class in molgrid)</a>
</li>
</ul></td>
</tr></table>
<h2 id="Q">Q</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.Quaternion">Quaternion (class in molgrid)</a>
</li>
</ul></td>
</tr></table>
<h2 id="R">R</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.Quaternion.R_component_1">R_component_1() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.Quaternion.R_component_2">R_component_2() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.Quaternion.R_component_3">R_component_3() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.Quaternion.R_component_4">R_component_4() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.radii">radii (molgrid.CoordinateSet property)</a>
</li>
<li><a href="index.html#molgrid.read_dx">read_dx() (in module molgrid)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.read_dx_grids">read_dx_grids() (in module molgrid)</a>
</li>
<li><a href="index.html#molgrid.Quaternion.real">real() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.recmolcache">recmolcache (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider.reset">reset() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.CartesianGrid.resolution">resolution() (molgrid.CartesianGrid method)</a>
</li>
<li><a href="index.html#molgrid.Quaternion.rotate">rotate() (molgrid.Quaternion method)</a>
</li>
</ul></td>
</tr></table>
<h2 id="S">S</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.Example.seqcont">seqcont (molgrid.Example property)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.set_binary">set_binary() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.set_dimension">set_dimension() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.set_gpu_device">set_gpu_device() (in module molgrid)</a>
</li>
<li><a href="index.html#molgrid.set_gpu_enabled">set_gpu_enabled() (in module molgrid)</a>
</li>
<li><a href="index.html#molgrid.Transform.set_quaternion">set_quaternion() (molgrid.Transform method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.set_radii_type_indexed">set_radii_type_indexed() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.set_random_seed">set_random_seed() (in module molgrid)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.set_resolution">set_resolution() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.Transform.set_rotation_center">set_rotation_center() (molgrid.Transform method)</a>
</li>
<li><a href="index.html#molgrid.Transform.set_translation">set_translation() (molgrid.Transform method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProvider.settings">settings() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.shuffle">shuffle (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.size">size() (molgrid.CoordinateSet method)</a>
<ul>
<li><a href="index.html#molgrid.ExampleProvider.size">(molgrid.ExampleProvider method)</a>
</li>
</ul></li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.ExampleProvider.small_epoch_size">small_epoch_size() (molgrid.ExampleProvider method)</a>
</li>
<li><a href="index.html#molgrid.GridMaker.spatial_grid_dimensions">spatial_grid_dimensions() (molgrid.GridMaker method)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.src">src (molgrid.CoordinateSet property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.stratify_abs">stratify_abs (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.stratify_max">stratify_max (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.stratify_min">stratify_min (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.stratify_pos">stratify_pos (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.stratify_receptor">stratify_receptor (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.ExampleProviderSettings.stratify_step">stratify_step (molgrid.ExampleProviderSettings property)</a>
</li>
<li><a href="index.html#molgrid.SubsetAtomMapper">SubsetAtomMapper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.SubsettedElementTyper">SubsettedElementTyper (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.sum_types">sum_types() (molgrid.CoordinateSet method)</a>
<ul>
<li><a href="index.html#molgrid.Example.sum_types">(molgrid.Example method)</a>
</li>
<li><a href="index.html#molgrid.ExampleVec.sum_types">(molgrid.ExampleVec method)</a>
</li>
</ul></li>
</ul></td>
</tr></table>
<h2 id="T">T</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.torch_bindings.tensor_as_grid">tensor_as_grid() (in module molgrid.torch_bindings)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.tocpu">tocpu() (molgrid.CoordinateSet method)</a>
<ul>
<li><a href="index.html#molgrid.Example.tocpu">(molgrid.Example method)</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.CoordinateSet.togpu">togpu() (molgrid.CoordinateSet method)</a>
<ul>
<li><a href="index.html#molgrid.Example.togpu">(molgrid.Example method)</a>
</li>
</ul></li>
<li><a href="index.html#molgrid.tonumpy">tonumpy() (in module molgrid)</a>
<ul>
<li><a href="index.html#molgrid.GridMaker.tonumpy">(molgrid.GridMaker method)</a>
</li>
</ul></li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.torch_bindings.Coords2Grid.training">training (molgrid.torch_bindings.Coords2Grid attribute)</a>
</li>
<li><a href="index.html#molgrid.Transform">Transform (class in molgrid)</a>
</li>
<li><a href="index.html#molgrid.Quaternion.transform">transform() (molgrid.Quaternion method)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.type_index">type_index (molgrid.CoordinateSet property)</a>
</li>
<li><a href="index.html#molgrid.CoordinateSet.type_vector">type_vector (molgrid.CoordinateSet property)</a>
</li>
</ul></td>
</tr></table>
<h2 id="W">W</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.write_dx">write_dx() (in module molgrid)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="index.html#molgrid.write_dx_grids">write_dx_grids() (in module molgrid)</a>
</li>
<li><a href="index.html#molgrid.write_map">write_map() (in module molgrid)</a>
</li>
</ul></td>
</tr></table>
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