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| "_comment": "that's all", |
| "model": { |
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| "Xe", |
| "Cs", |
| "Ba", |
| "La", |
| "Ce", |
| "Pr", |
| "Nd", |
| "Pm", |
| "Sm", |
| "Eu", |
| "Gd", |
| "Tb", |
| "Dy", |
| "Ho", |
| "Er", |
| "Tm", |
| "Yb", |
| "Lu", |
| "Hf", |
| "Ta", |
| "W", |
| "Re", |
| "Os", |
| "Ir", |
| "Pt", |
| "Au", |
| "Hg", |
| "Tl", |
| "Pb", |
| "Bi", |
| "Po", |
| "At", |
| "Rn", |
| "Fr", |
| "Ra", |
| "Ac", |
| "Th", |
| "Pa", |
| "U", |
| "Np", |
| "Pu", |
| "Am", |
| "Cm", |
| "Bk", |
| "Cf", |
| "Es", |
| "Fm", |
| "Md", |
| "No", |
| "Lr", |
| "Rf", |
| "Db", |
| "Sg", |
| "Bh", |
| "Hs", |
| "Mt", |
| "Ds", |
| "Rg", |
| "Cn", |
| "Nh", |
| "Fl", |
| "Mc", |
| "Lv", |
| "Ts", |
| "Og" |
| ], |
| "dpa3_descriptor": { |
| "type": "dpa3", |
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| "e_dim": 64, |
| "a_dim": 32, |
| "nlayers": 16, |
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| "e_sel": 1200, |
| "a_rcut": 4.0, |
| "a_rcut_smth": 3.5, |
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| "axis_neuron": 4, |
| "skip_stat": true, |
| "a_compress_rate": 1, |
| "a_compress_e_rate": 2, |
| "a_compress_use_split": true, |
| "update_angle": true, |
| "smooth_edge_update": true, |
| "use_dynamic_sel": true, |
| "sel_reduce_factor": 10.0, |
| "use_exp_switch": true, |
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| "update_residual_init": "const" |
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| "precision": "float32", |
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| 240, |
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| "seed": 1, |
| "_comment": " that's all" |
| }, |
| "_comment": "that's all" |
| }, |
| "model_dict": { |
| "Organic_Reactions": { |
| "type_map": "type_map_all", |
| "descriptor": "dpa3_descriptor", |
| "fitting_net": "shared_fitting" |
| } |
| } |
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| "start_lr": 0.001, |
| "stop_lr": 1e-06, |
| "_comment": "that's all" |
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| "type": "ener", |
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| "limit_pref_e": 20, |
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| "limit_pref_f": 60, |
| "start_pref_v": 0.02, |
| "limit_pref_v": 1 |
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| }, |
| "training": { |
| "model_prob": { |
| "Organic_Reactions": 11.93 |
| }, |
| "data_dict": { |
| "Organic_Reactions": { |
| "stat_file": "/mnt/data_nas/zhangd/workplace/stat_files/multitask/beta4/Organic_Reactions.hdf5", |
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| "_comment": "that's all" |
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| "_comment": "that's all" |
| } |
| } |
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| "_comment": "that's all" |
| } |
| } |
|
|
