predictions: List of predictions associated to the internal energy E and...

Description Usage Format

Description

A list containing two matrices of predicted internal energy E and HOMO-LUMO gap for 500 SMILES from linear and random forest models respectively

Usage

1

Format

A list with two matrices of 500 rows of 2 variables:

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iqspr documentation built on Aug. 1, 2017, 9:02 a.m.