Python 用于测试另一个数据集的deepchem模型

这是deepchem指南模型。 我想用这个模型来测试另一个csv文件。有任何指导性的站点或示例。请有人帮帮我。csv文件有微笑结构，我想看看如何预测微笑结构的模型是否处于活动状态（0或1）

import deepchem as dc
import pandas as pd
import numpy as np
import os, glob

tasks, datasets, transformers = dc.molnet.load_hiv(featurizer='GraphConv')
train_dataset, valid_dataset, test_dataset = datasets
print(datasets)

n_tasks = len(tasks)
model = dc.models.GraphConvModel(n_tasks, mode='classification', model_dir='HIV_test1.h5')
hist = model.fit(train_dataset, nb_epoch=50)

metric = dc.metrics.Metric(dc.metrics.roc_auc_score)
print('Training set score:', model.evaluate(train_dataset, [metric], transformers))
print('Test set score:', model.evaluate(test_dataset, [metric], transformers))

model = dc.models.GraphConvModel(n_tasks, mode='classification', model_dir='HIV_test1.h5')
model.restore()