AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

Home Page:https://chemicalx.readthedocs.io

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

Pipeline - Unexpected Labels

RetrosynthesisAI opened this issue · comments

I tried the pipeline code, on your github page and it resulted in the following error

from chemicalx import pipeline
from chemicalx.models import DeepSynergy
from chemicalx.data import DrugCombDB

model = DeepSynergy(context_channels=112, drug_channels=256)
dataset = DrugCombDB()

results = pipeline(
    dataset=dataset,
    model=model,
    # Data arguments
    batch_size=5120,
    context_features=True,
    drug_features=True,
    drug_molecules=False,
    labels=True,
    # Training arguments
    epochs=100,
)

# Outputs information about the AUC-ROC, etc. to the console.
results.summarize()

# Save the model, losses, evaluation, and other metadata.
results.save("~/test_results/")


TypeError                                 Traceback (most recent call last)

[<ipython-input-9-b0c19c387d65>](https://localhost:8080/#) in <module>()
     16     labels=True,
     17     # Training arguments
---> 18     epochs=100,
     19 )
     20 

TypeError: pipeline() got an unexpected keyword argument 'labels'