sidechainnet

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Interpretation of sidechainnet IDs in train split

1

Hi, thank you for providing such a great and well-documented resource to the field! I have a hopefully-simple question about some of the sidechainnet IDs I'm seeing in the CASP12...

sidnarayanan

error when generating pdb

1

Dear talents, I try to run the note book tutorials regarding using angles to form pdb files. But I keep getting errors like " Can't call numpy() on Tensor that...

xxiexuezhi

## Description This is a modification of previous pull request that supports arbitrary offsets from variable dihedral. Much faster coordinate building from angles. fastbuild is more than 300 times faster...

dkoes

Generating SidechainNet angles for arbitrary PDB files

6

Hi, I am interested in using [MP-Nerf](https://github.com/EleutherAI/mp_nerf) for a custom dataset and in order to do this I would need to have the functionality of transforming arbitrary PDB entries in...

AndreeaMusat

Structure procedence (NMR, Xray)

1

Hi there! Would it be possible to know which method was used to determine the strcuture? Maybe it's already provided in the `resolution` attribute as some special value? Best, Eric

hypnopump

scn.load() error

3

when I run python train_pre.py, it get error at scn.load(), can not get the pkl file，how can I get the pkl file before I run the program

liuxm117

Secondary structures for validation & test sets

2

Hi, I wonder if it is possible to add secondary structures for validation & test sets? Thanks.

zlcrrrr

Issue installing

2

I am having trouble installing the new version this. the Colab is stopped working and normal pip installation as specified under the current conda version doesn't work. Is anyone else...

Max-Witwer

error value in batch

1

it gives error when trying to put traindata into batch `batch = next(iter(dataloader['train'])) print("Protein IDs\n ", batch.ids) print("Sequences\n ", batch.seqs.shape) print("Evolutionary Data\n ", batch.evolutionary.shape) print("Secondary Structure\n ", batch.secondary.shape) print("Angle Data\n...

omarkhaled-28

Sidechainnet for CASP 13 to CASP 15

6

Hi! I am trying to do Masked Modelling using sequential and structural data using your curated dataset. I was wondering if it's possible for you to add the data for...

harshagrawal13