{% extends "layout.html" %} {% from 'macros.html' import add_checkpoint, chemdraw, error_message, warning_message %} {% block title %}

Predict

{% endblock %} {% block content %} {% if not config['DEMO'] %} {{ add_checkpoint('predict', checkpoint_upload_warnings, checkpoint_upload_errors) }}

Predict

{% endif %}
Model checkpoint



SMILES (one per line)

{% if cuda %}
GPU


{% endif %}

{% if warnings %} {% for warning in warnings %} {{ warning_message(warning) }} {% endfor %} {% endif %} {% if errors %} {% for error in errors %} {{ error_message(error) }} {% endfor %} {% endif %} {% if predicted %}


{% for i in range(num_smiles) %}

SMILES: {{ smiles[i] }}

{% for j in range(num_tasks) %}

{{ task_names[j] }}: {{ preds[i][j] }}

{% endfor %}
{% endfor %} {% if show_more > 0 %}

... and {{ show_more }} more. Download file for full predictions.

{% endif %} {% endif %} {% endblock %}