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odek53r avatar odek53r commented on August 30, 2024

Both of model.json and trainer.json are configuration files.
I try to find out the parameters used in this work and recreate ones.

model.json file looks like as the following.
{"n_node_types":33, "n_edge_types":4, "n_d":2, "Fe":16, "Fh":[32, 64, 128, 128, 256, 256], "Fskip":256, "Fh_policy":128, "learning_rate":0.001, "decay_step":100, "decay_rate":0.001, "beta1":0.9, "beta2":0.999, "epsilon":0.00000001, "clip_val":3.0, "activation":"relu", "batch_norm":true }

trainer.json file looks like as the following.
{"dataset":{ "file_name":"datasets/ChEMBL.txt", "num_epoch":50000, "generator":"from_smiles_to_batch", "batch_size":25, "num_pool":null, "kwargs":{"queue_in_size":10, "queue_out_size":10, "k":10, "p":0.9, "conditional":false, "is_train":true}, "sampler":null }, "model_name":"graph_lm", "summarize_step":10 }

from molecule_generator.

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