:orphan:
========
Examples
========
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.. image:: /examples/images/thumb/sphx_glr_ase_interface_thumb.png
:alt:
:ref:`sphx_glr_examples_ase_interface.py`
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Structure minimization and constant temperature MD using ASE interface
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.. image:: /examples/images/thumb/sphx_glr_neurochem_trainer_thumb.png
:alt:
:ref:`sphx_glr_examples_neurochem_trainer.py`
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Train Neural Network Potential From NeuroChem Input File
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.. image:: /examples/images/thumb/sphx_glr_vibration_analysis_thumb.png
:alt:
:ref:`sphx_glr_examples_vibration_analysis.py`
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Computing Vibrational Frequencies Using Analytical Hessian
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.. image:: /examples/images/thumb/sphx_glr_energy_force_thumb.png
:alt:
:ref:`sphx_glr_examples_energy_force.py`
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Computing Energy and Force Using Models Inside Model Zoo
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.. image:: /examples/images/thumb/sphx_glr_load_from_neurochem_thumb.png
:alt:
:ref:`sphx_glr_examples_load_from_neurochem.py`
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Construct Model From NeuroChem Files
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.. image:: /examples/images/thumb/sphx_glr_jit_thumb.png
:alt:
:ref:`sphx_glr_examples_jit.py`
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Using TorchScript to serialize and deploy model
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.. image:: /examples/images/thumb/sphx_glr_nnp_training_thumb.png
:alt:
:ref:`sphx_glr_examples_nnp_training.py`
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Train Your Own Neural Network Potential
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.. image:: /examples/images/thumb/sphx_glr_nnp_training_force_thumb.png
:alt:
:ref:`sphx_glr_examples_nnp_training_force.py`
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Train Neural Network Potential To Both Energies and Forces
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.. toctree::
:hidden:
/examples/ase_interface
/examples/neurochem_trainer
/examples/vibration_analysis
/examples/energy_force
/examples/load_from_neurochem
/examples/jit
/examples/nnp_training
/examples/nnp_training_force
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.. container:: sphx-glr-footer sphx-glr-footer-gallery
.. container:: sphx-glr-download sphx-glr-download-python
:download:`Download all examples in Python source code: examples_python.zip `
.. container:: sphx-glr-download sphx-glr-download-jupyter
:download:`Download all examples in Jupyter notebooks: examples_jupyter.zip `
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.. rst-class:: sphx-glr-signature
`Gallery generated by Sphinx-Gallery