output2.log

acsf_model(name='t2',
           num_molecules=10000,
           acsf_Gs=acsf_Gs(G2_params=[(0.4, 0.2), (0.6, 0.2)],
                           G4_params=[(0.4, 2, 1), (0.6, 2, 1), (0.6, 2, -1)],
                           Rc=5.0),
           paths=paths(data_path='data/t0.pickle',
                       model_path='results/t2',
                       plot_path='plots/t2'),
           results=results(avg_dif=0, mae=0, max_d=0),
           nn_props=nn_props(nodes=[30, 200, 100, 20, 1],
                             batch_size=32,
                             epochs=300,
                             learning_rate=0.001))
found data at data/t0.pickle
starting training...
Printing every 30 epochs
tensor([0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,
        0., 0., 0., 0., 0., 0., 0., 0.])
30 4.345580577850342
	 0.44918888807296753 0.4438942074775696
60 3.476132869720459
	 0.6200711727142334 0.4438942074775696
90 2.4206061363220215
	 0.6439067125320435 0.4438942074775696
120 2.3434064388275146
	 0.6525444984436035 0.4438942074775696
150 2.00508451461792
	 0.6152758598327637 0.4438942074775696
180 1.9650089740753174
	 0.6875203847885132 0.4438942074775696
210 2.201526165008545
	 0.6719628572463989 0.4438942074775696
240 2.3733532428741455
	 0.5983401536941528 0.4438942074775696
270 2.092712640762329
	 0.6463909149169922 0.4438942074775696
300 2.163088083267212
	 0.5442803502082825 0.4438942074775696

Avg. Differences 	=	3.8051 Hartrees
Mean Abs. Error  	=	48.0141 Hartrees
Max Error        	=	590.2318 Hartrees
results/t2.json