deepmodeling/Uni-Mol

About pretrained weights files

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Hello,How are pretrained weights file generated?

Pretrained weights files are generated through a process called pretraining. Pretraining is a step in machine learning where a model is trained on a large dataset to learn general representations or features that can be useful for downstream tasks.

If I want to use my own data for this task, can I directly use the pretraining weights file you provided?

It's generally not advisable to directly use a pretraining weights file. You can use the pretrained weights as initial parameters and finetune the model on your data. Btw, if your goal is to obtain general representations for a molecule, you can use the pretraining weights directly.

感谢大佬解答! 哈哈