lsj2408 / Transformer-M

[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)

Home Page:https://arxiv.org/abs/2210.01765

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Errors when evaluate the model

Saoge123 opened this issue · comments

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".