DeepChain apps is a collaborative framework that allows the user to create scorers to evaluate protein sequences. These scorers can be either classifier or predictor.

This Github is hosting a template for creating a personal application to deploy on deepchain.bio. The main deepchain-apps package can be found on pypi. To leverage the apps capability, take a look at the bio-transformers and bio-datasets package.

📕 Please find the documentation here.

It is recommended to work with conda environments in order to manage the specific dependencies of the package.

  conda create --name deepchain-env python=3.7 -y 
  conda activate deepchain-env
  pip install deepchain-apps

If you want to create and deploy an app on deepchain hub, you could use the command provided in the deepchain-apps package. Below are the main commands that should be used in a terminal:

deepchain login
deepchain create myapplication

The last command will download the Github files inside the myapplication folder.

You can modify the app.py file, as explained in the Deepchain-apps templates

To deploy the app on deepchain.bio, use:

deepchain deploy myapplication

To know how to generate a token with deepchain, please follow this link

When creating an app, you will download the current Github folder with the following structure.

 .
├── README.md # explains how to create an app
├── __init__.py # __init__ file to create python module
├── checkpoint
│   ├── __init__.py
│   └── Optionnal : model.pt # optional: model to be used in app must be placed there
├── examples
│   ├── app_with_checkpoint.py # example: app example with checkpoint
│   └── torch_classifier.py # example: show how to train a neural network with pre-trained embeddings
└── src
    ├── DESC.md # Desciption file of the application, feel free to put a maximum of information.
    ├── __init__.py
    ├── app.py # main application script. Main class must be named App.
    └── Optional : model.py # file to register the models you use in app.py.
    └── tags.json # file to register the tags on the hub.
    

The main class must be named App in app.py

For your app to be visible and well documented, tags should be filled to precise at least the tasks section. It will be really useful to retrieve it from deepchain hub.

• tasks
• librairies
• embeddings
• datasets
• device

If you want your app to benefit from deepchain' GPU, set the device to "gpu" in tags. It will run on "cpu" by default.

You can also create an application based on an app already available on the public deepchain hub:

First, you can list all the available app in the hub like following:

>> deepchain apps --public

----------------------------------------------------------------
APP                                        USERNAME             
----------------------------------------------------------------
OntologyPredict                    [email protected]    
DiseaseRiskApp                     [email protected]     

You can simply download the app locally with the cli:

deepchain download [email protected]/OntologyPredict OntologyPredict

The app will be downloaded in the OntologyPredict folder.

Some templates are provided to create and deploy an app.

You can implement whatever function you want inside compute_scores() function.

It just has to respect the return format:

One dictionary for each protein that is scored. Each key of the dictionary are declared in score_names() function.

[
  {
    'score_names_1':score11
    'score_names_2':score21
  },
   {
    'score_names_1':score12
    'score_names_2':score22
  }
]

An example of training with an embedding is provided in the example/torch_classifier.py script.

Be careful, you must use the same embedding for the training and the compute_scores() method.

When training a model with pytorch, you must save the weights with the state_dict() method, rebuilt the model architecture in the Scorer or in a model.py file and load the weights like in the example below.

from typing import Dict, List, Optional

import torch
from biotransformers import BioTransformers
from deepchain.components import DeepChainApp

# TODO : from model import myModel
from deepchain.models import MLP
from torch import load

Score = Dict[str, float]
ScoreList = List[Score]


class App(DeepChainApp):
    """DeepChain App template:

    - Implement score_names() and compute_score() methods.
    - Choose a a transformer available on BioTranfformers
    - Choose a personal keras/tensorflow model
    """

    def __init__(self, device: str = "cuda:0"):
        self._device = device
        self.num_gpus = 0 if device == "cpu" else 1
        self.transformer = BioTransformers(backend="protbert", num_gpus=self.num_gpus)
        # Make sure to put your checkpoint file in your_app/checkpoint folder
        self._checkpoint_filename: Optional[str] = "model.pt"
        # build your model
        self.model = MLP(input_shape=1024, n_class=2)

        # load_model for tensorflow/keras model-load for pytorch model
        if self._checkpoint_filename is not None:
            state_dict = load(self.get_checkpoint_path(__file__))
            self.model.load_state_dict(state_dict)
            self.model.eval()

    @staticmethod
    def score_names() -> List[str]:
        """App Score Names. Must be specified.

        Example:
         return ["max_probability", "min_probability"]
        """
        return ["probability"]

    def compute_scores(self, sequences: List[str]) -> ScoreList:
        """Return a list of all proteins score"""

        x_embedding = self.transformer.compute_embeddings(sequences)["cls"]
        probabilities = self.model(torch.tensor(x_embedding).float())
        probabilities = probabilities.detach().cpu().numpy()

        prob_list = [{self.score_names()[0]: prob[0]} for prob in probabilities]

        return prob_list

The CLI provides 5 main commands:

• login : you need to supply the token provide on the platform (PAT: personal access token).

  deepchain login
  

• create : create a folder with a template app file

  deepchain create my_application
  

• deploy : the code and checkpoint are deployed on the platform, you can select your app in the interface on the platform.

  • with checkpoint upload

    deepchain deploy my_application --checkpoint
    

  • Only the code

    deepchain deploy my_application
    

• apps :

  • Get info on all local/upload apps

    deepchain apps --infos
    

  • Remove all local apps (files & config):

    deepchain apps --reset
    

  • Remove a specific application (files & config):

    deepchain apps --delete my_application
    

  • List all public apps:

    deepchain apps --public
    

• download :

  • Download locally an app deployed on deepchain hub

      deepchain download [email protected]/AppName AppName
    

Apache License Version 2.0