I tried to evaluate the model by using L12 ckpt.
an error occured:
AttributeError: 'Namespace' object has no attribute 'load_qm9'
I added the parameter ‘--load-qm9’ in evaluate.sh and run 'bash evaluate.sh'. A new error is raised:
RuntimeError: Error(s) in loading state_dict for TransformerMModel:
Unexpected key(s) in state_dict: "encoder.molecule_encoder.atom_proc.q_proj.weight", "encoder.molecule_encoder.atom_proc.q_proj.bias", "encoder.molecule_encoder.atom_proc.k_proj.weight", "encoder.molecule_encoder.atom_proc.k_proj.bias", "encoder.molecule_encoder.atom_proc.v_proj.weight", "encoder.molecule_encoder.atom_proc.v_proj.bias", "encoder.molecule_encoder.atom_proc.force_proj1.weight", "encoder.molecule_encoder.atom_proc.force_proj1.bias", "encoder.molecule_encoder.atom_proc.force_proj2.weight", "encoder.molecule_encoder.atom_proc.force_proj2.bias", "encoder.molecule_encoder.atom_proc.force_proj3.weight", "encoder.molecule_encoder.atom_proc.force_proj3.bias".
I tried to evaluate the model by using L12 ckpt. an error occured: AttributeError: 'Namespace' object has no attribute 'load_qm9'
I added the parameter ‘--load-qm9’ in evaluate.sh and run 'bash evaluate.sh'. A new error is raised: RuntimeError: Error(s) in loading state_dict for TransformerMModel: Unexpected key(s) in state_dict: "encoder.molecule_encoder.atom_proc.q_proj.weight", "encoder.molecule_encoder.atom_proc.q_proj.bias", "encoder.molecule_encoder.atom_proc.k_proj.weight", "encoder.molecule_encoder.atom_proc.k_proj.bias", "encoder.molecule_encoder.atom_proc.v_proj.weight", "encoder.molecule_encoder.atom_proc.v_proj.bias", "encoder.molecule_encoder.atom_proc.force_proj1.weight", "encoder.molecule_encoder.atom_proc.force_proj1.bias", "encoder.molecule_encoder.atom_proc.force_proj2.weight", "encoder.molecule_encoder.atom_proc.force_proj2.bias", "encoder.molecule_encoder.atom_proc.force_proj3.weight", "encoder.molecule_encoder.atom_proc.force_proj3.bias".