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pengzhangzhi / ab_opt

Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
Apache License 2.0
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Error while training #2

Open Melissaurious opened 8 months ago

Melissaurious commented 8 months ago

File "./ab_opt/AbDesign/diffab/models/diff_gnn.py", line 149, in forward hydropathy = batch['hydropathy'][batch['mask']] KeyError: 'hydropathy'

also with 'charge' key

pengzhangzhi commented 7 months ago

Hi, these are two unused keys; please just remove them from your code.

dealmeida-vm commented 3 months ago

Hello, I'm having the same problem with "hydropathy" and "charge" keys. The error in given below:

File "/home/vitor/ab_opt-main/AbDesign/diffab/models/diff_gnn.py", line 262, in sample hydropathy = batch['hydropathy'][batch['mask']] KeyError: 'hydropathy'

I tried commenting the corresponding lines as requested, but the code keeps giving following errors related to these keys. Can you specify which part of the code should be removed in order to run?

pengzhangzhi commented 3 months ago

Hi, keep commenting on everything related to hydropathy.

A side note: The antibody optimization pipeline is in https://github.com/pengzhangzhi/ab_opt/tree/main/AbDock

The ab_design is merely just a demo.