Fig. 19
From: LAGNet: better electron density prediction for LCAO-based data and drug-like substances

LAGNet (D=4, F=128) using with random molecule from \(\nabla ^2\)DFT. Examples of downstream tasks with target and predicted electron density
From: LAGNet: better electron density prediction for LCAO-based data and drug-like substances
LAGNet (D=4, F=128) using with random molecule from \(\nabla ^2\)DFT. Examples of downstream tasks with target and predicted electron density