# Create a model If you'd like to create a new model that isn't covered by the existing DeePMD-kit library, but reuse DeePMD-kit's other efficient module such as data processing, trainner, etc, you may want to read this section. To incorporate your custom model you'll need to: 1. Register and implement new components (e.g. descriptor) in a Python file. You may also want to regiester new TensorFlow OPs if necessary. 2. Register new arguments for user inputs. 3. Package new codes into a Python package. 4. Test new models. ## Design a new component When creating a new component, take descriptor as the example, you should inherit {py:class}`deepmd.descriptor.descriptor.Descriptor` class and override several methods. Abstract methods such as {py:class}`deepmd.descriptor.descriptor.Descriptor.build` must be implemented and others are not. You should keep arguments of these methods unchanged. After implementation, you need to register the component with a key: ```py from deepmd.descriptor import Descriptor @Descriptor.register("some_descrpt") class SomeDescript(Descriptor): def __init__(self, arg1: bool, arg2: float) -> None: pass ``` ## Register new arguments To let some one uses your new component in their input file, you need to create a new methods that returns some `Argument` of your new component, and then register new arguments. For example, the code below ```py from typing import List from dargs import Argument from deepmd.utils.argcheck import descrpt_args_plugin @descrpt_args_plugin.register("some_descrpt") def descrpt_some_args() -> List[Argument]: return [ Argument("arg1", bool, optional=False, doc="balabala"), Argument("arg2", float, optional=True, default=6.0, doc="haha"), ] ``` allows one to use your new descriptor as below: ```json "descriptor" :{ "type": "some_descrpt", "arg1": true, "arg2": 6.0 } ``` The arguments here should be consistent with the class arguments of your new componenet. ## Package new codes You may use `setuptools` to package new codes into a new Python package. It's crirical to add your new component to `entry_points['deepmd']` in `setup.py`: ```py entry_points={ 'deepmd': [ 'some_descrpt=deepmd_some_descrtpt:SomeDescript', ], }, ``` where `deepmd_some_descrtpt` is the module of your codes. It is equivalent to `from deepmd_some_descrtpt import SomeDescript`. If you place `SomeDescript` and `descrpt_some_args` into different modules, you are also expected to add `descrpt_some_args` to `entry_points`. After you install your new package, you can now use `dp train` to run your new model.