{ "_comment": " model parameters", "model": { "type_map": ["H", "C", "N", "O"], "descriptor" :{ "type": "se_a", "rcut_smth": 0.5, "rcut": 6.00, "neuron": [30, 60, 120], "type_one_side": true, "resnet_dt": false, "axis_neuron": 16, "seed": 1587495110 }, "fitting_net" : { "neuron": [240, 240, 240, 240], "resnet_dt": true, "seed": 1111 } }, "learning_rate" :{ "type": "exp", "decay_steps": 10000, "start_lr": 0.001, "stop_lr": 0.00000005 }, "loss" :{ "type": "ener", "start_pref_e": 0.05, "limit_pref_e": 5, "start_pref_f": 1000, "limit_pref_f": 1, "start_pref_v": 0, "limit_pref_v": 0 }, "_comment": " traing controls", "training" : { "training_data": { "systems": ["./T1/", "T2", "T3", "T4"], "set_prefix": "set", "batch_size": "auto", "auto_prob": "prob_uniform" }, "validation_data": { "systems": ["./V1/", "V2", "V3", "V4"], "set_prefix": "set", "batch_size": "auto", "auto_prob": "prob_uniform" }, "numb_steps": 1000000, "disp_file": "lcurve.out", "disp_freq": 10, "numb_test": 1, "save_freq": 1000, "save_ckpt": "model.ckpt", "disp_training":true, "time_training":true, "profiling_file":"timeline.json", "seed": 1987140770 } }