Commit fff925b1 authored by Bharath Ramsundar's avatar Bharath Ramsundar
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Example running

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examples/sweetlead/sweet.csv.gz

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"""
Script that loads random forest models trained on the sider and toxcast datasets, predicts on sweetlead,
creates covariance matrix
Script that loads random forest models trained on the sider and tox21 datasets,
predicts on sweetlead, creates covariance matrix

@Author Aneesh Pappu
"""
from __future__ import print_function
@@ -38,7 +39,7 @@ tox_model.fit(tox_train)

sider_tasks, (sider_train, sider_valid, sider_test), sider_transformers = dc.molnet.load_sider(split="random")

sider_model = SingletaskToMultitask(tox_tasks, model_builder)
sider_model = SingletaskToMultitask(sider_tasks, model_builder)
sider_model.fit(sider_train)

# Load sweetlead dataset now. Pass in dataset object and appropriate