issue about the DeepREAL

[orange2350]

Hello, excellent job! I need to inquire about the following lines in the models.py file:

• fingerprint.features import num_atom_features, num_bond_features
• from fingerprint.models import NeuralFingerprint

It seems that the fingerprint directory or files are missing, as these packages cannot be imported. Could you please confirm if there are any missing files or directories related to 'fingerprint'? If so, where can I find them or how should I proceed to resolve this issue?

Best Wishes

[lxie21]

Hi Zhiyi, Thanks for your interest. Yes. These files are not included. You can use any state-of-the-art pre-trained chemical embeddings, e.g., https://torchdrug.ai/docs/tutorials/pretrain.html Best, Lei

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On Thu, Jul 11, 2024 at 10:26 AM Zhiyi Chen ***@***.***> wrote: Hello, excellent job! I need to inquire about the following lines in the models.py file: - fingerprint.features import num_atom_features, num_bond_features - from fingerprint.models import NeuralFingerprint It seems that the fingerprint directory or files are missing, as these packages cannot be imported. Could you please confirm if there are any missing files or directories related to 'fingerprint'? If so, where can I find them or how should I proceed to resolve this issue? Best Regrets — Reply to this email directly, view it on GitHub <#3>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABZSBCU5KDNOWSFI45BT4FLZL2I2JAVCNFSM6AAAAABKXDMTBOVHI2DSMVQWIX3LMV43ASLTON2WKOZSGQYDGMZSHAZTOMA> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[orange2350]

Hi Lei,
thank you very much for your help, but I still couldn't get it to work.
Best regards.
Zhiyi