wilhelm-lab / koina

Democratizing ML in proteomics
https://koina.wilhelmlab.org/
Apache License 2.0
29 stars 14 forks source link
bioinformatics deep-learning machine-learning mass-spectrometry proteomics python

Koina

Accessing a public server

cURL

Here is an example http request using only cURL sending a POST request to with a json body.

curl "https://koina.wilhelmlab.org/v2/models/Prosit_2019_intensity/infer" \
 --data-raw '
{
  "id": "LGGNEQVTR_GAGSSEPVTGLDAK",
  "inputs": [
    {"name": "peptide_sequences",   "shape": [2,1], "datatype": "BYTES", "data": ["LGGNEQVTR","GAGSSEPVTGLDAK"]},
    {"name": "collision_energies",  "shape": [2,1], "datatype": "FP32",  "data": [25,25]},
    {"name": "precursor_charges",    "shape": [2,1], "datatype": "INT32", "data": [1,2]}
  ]
}'

Python

For examples of how to access models using python you can check out our OpenAPI documentation .

R

TODO

Hosting your own server

Dependencies

Koina depends on docker and nvidia-container-toolkit.

You can find an ansible script that installs all dependencies here.

How to run it

After installing the dependencies you can pull the docker image and run it. If you have multiple GPUs installed on your server you can choose which one is used by modifying --gpus '"device=0"' When using this docker image you need to accept the terms in the NVIDIA Deep Learning Container License

docker run \
    --gpus '"device=0"' \
    --shm-size 8G \
    --name koina \
    -p 8500-8502:8500-8502 \
    -d \
    --restart unless-stopped \
    ghcr.io/wilhelm-lab/koina:latest

If you want to stay up to date with the latest version of Koina we suggest you also deploy containrrr/watchtower.

docker run \
  -d \
  --name watchtower \
  -v /var/run/docker.sock:/var/run/docker.sock \
  --restart unless-stopped \
  containrrr/watchtower -i 30 --rolling-restart

Adding your own model

Set up a development server

  1. Install dependencies (Ansible script)
  2. (Suggested) Install docker compose
  3. Clone the repo
  4. Update .env with your user- and group-id to avoid file permission issues
  5. Start the server with docker compose up -d --wait
  6. Confirm that the server started successfully with docker compose logs -f serving. It the startup wass successful you will see something like this.:
    koina-serving-1  | I0615 13:27:04.260871 90 grpc_server.cc:2450] Started GRPCInferenceService at 0.0.0.0:8500
    koina-serving-1  | I0615 13:27:04.261163 90 http_server.cc:3555] Started HTTPService at 0.0.0.0:8501
    koina-serving-1  | I0615 13:27:04.303178 90 http_server.cc:185] Started Metrics Service at 0.0.0.0:8502

Further considerations

Import model files

Triton supports all major machine learning frameworks. The format you need to save your model in depends on the framework used to train your model. For detailed instructions you can check out this documentation. You can find examples for TensorFlow, PyTorch and XGBoost in our model repository.

Model repository

For storing the model files themselves we use Zenodo. If you want to add your model to the publicly available Koina instances, You should upload your model file to Zenodo and commit a file named .zenodo containing the download url in place of the real model file.

Create pre- and post-processing steps

A major aspect of Koina, is that all models share a common interface making it easier for clients to use all models. Triton supports models written in pure python. If your model requires pre- and/or post-processing you can implement this as a "standalone" model in python. There are numerous examples in this repository. One with low complexity you can find here. If you made changes to your model you need to restart Triton. You can do that with docker compose restart serving.

Create an ensemble model to connect everything

The pre- and postprocessing models you just implemented need to be connected to the Ensemble models don't have any code themselves they just manage moving tensors between other models. This is perfect for combining your potentially various pre- and post-processing steps with your main model to create one single model/workflow.

Write tests for your model

To make sure that your model was implemented correctly and future changes do not make any unforseen changes you can add tests for it in the test folder. The files added there should match the model name used in the model repository.