:orphan: ======== Examples ======== .. raw:: html
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_ase_interface_thumb.png :alt: :ref:`sphx_glr_examples_ase_interface.py` .. raw:: html
Structure minimization and constant temperature MD using ASE interface
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_neurochem_trainer_thumb.png :alt: :ref:`sphx_glr_examples_neurochem_trainer.py` .. raw:: html
Train Neural Network Potential From NeuroChem Input File
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_vibration_analysis_thumb.png :alt: :ref:`sphx_glr_examples_vibration_analysis.py` .. raw:: html
Computing Vibrational Frequencies Using Analytical Hessian
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_energy_force_thumb.png :alt: :ref:`sphx_glr_examples_energy_force.py` .. raw:: html
Computing Energy and Force Using Models Inside Model Zoo
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_load_from_neurochem_thumb.png :alt: :ref:`sphx_glr_examples_load_from_neurochem.py` .. raw:: html
Construct Model From NeuroChem Files
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_jit_thumb.png :alt: :ref:`sphx_glr_examples_jit.py` .. raw:: html
Using TorchScript to serialize and deploy model
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_nnp_training_thumb.png :alt: :ref:`sphx_glr_examples_nnp_training.py` .. raw:: html
Train Your Own Neural Network Potential
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.. only:: html .. image:: /examples/images/thumb/sphx_glr_nnp_training_force_thumb.png :alt: :ref:`sphx_glr_examples_nnp_training_force.py` .. raw:: html
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 .. only:: html .. 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 ` .. only:: html .. rst-class:: sphx-glr-signature `Gallery generated by Sphinx-Gallery `_