ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery
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For the configuration of the molecular_transformer model, please see https://github.com/pschwllr/MolecularTransformer
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Molecular_transformer model path:https://ibm.ent.box.com/v/MolecularTransformerModels MIT_mixed_augm_model_average_20.pt and put this in transformer_model/experiments/checkpoints/all/