Ground State Energy of 16K Molecules

April 22, 2018
A simple, yet highly effective way of calculating Ground State Energy, that takes less than an hour to train.
A simple, yet highly effective way of calculating Ground State Energy, that takes less than an hour to train. I experimented with a number of variations on this, among which this was the best result. Mean Absolute Error 0.051735 Root Mean Squared Error 0.079127 Relative Absolute Error 0.017731 Relative Squared Error 0.000465 Coefficient of Determination 0.999535