Hello,

I encountered an issue with the function eps_net during the inference process here L274-L277. It appears that the number of arguments expected by the forward() method of eps_net does not match the number passed in the code.

Upon inspecting the code, I found that the argument R_t_global was not being passed. I tried to fix this by adding the following line, mimicking the training part of the code:

_, R_t_global = global_frame(X_t, mask_gen_pos)

and then passed the variable R_t_global to the eps_net as:

vp_t, vr_t, vd_t, vc_t = self.eps_net(
                    d_t, s_t, X_t, R_t, R_t_global, res_feat, pair_feat, t_tensor, 
                    mask_gen_d, mask_gen_aa, mask_gen_pos, mask_res
                )   # (N, L, 3), (N, L, 3, 3), (N, L, 3)

As a result, the sample function looks like this:

X_t = manifold_to_euclid(r_t, p_t, d_t, X_ctx, mask_gen_pos)

# WARN: fix missed R_t_global
_, R_t_global = global_frame(X_t, mask_gen_pos)
# ===========================

X_t, R_t = X_t[:, :, BBHeavyAtom.CA], construct_3d_basis(X_t[:, :, BBHeavyAtom.CA],
                                                         X_t[:, :, BBHeavyAtom.C],
                                                         X_t[:, :, BBHeavyAtom.N],)

vp_t, vr_t, vd_t, vc_t = self.eps_net(
        d_t, s_t, X_t, R_t, R_t_global, res_feat, pair_feat, t_tensor, 
        mask_gen_d, mask_gen_aa, mask_gen_pos, mask_res
    )   # (N, L, 3), (N, L, 3, 3), (N, L, 3)         

1、Could you please confirm if the changes I made to the code are correct?

I then used this fix to generate peptides with the test dataset using pretrained weights from the ppflow_pretrained.pt ckpt and evaluated the generated peptides(bb4.pdb format) with evaluation/eval_struct_seq.py. However, the results I obtained did not correspond with the results presented in your paper.

If it helps, corresponding raw files and evaluation meta files can be downloaded here.

2、Could there be any additional minor errors in the code that are preventing the results from being accurately reproduced?

I really appreciate your help in resolving this issue. Thank you for your continued support and dedication to improving this project!