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Just to premise this issue, I only spent 2 hours looking at the code, so not entirely sure if it is an user error or intentional.
But in `dpo.py` `tokenize_row` [function](https://github.com/allena…
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Hi，author,
**1. wrong checkpoint name**
when I tried to generate linker for custom pocket and molecule with command:
"
python -u sample_linker.py \
--ckpt 500.pt \
--pdb_path 3WZE/pocket.…
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I haven't looked into the fixes yet, but there are more than usual real-looking remote test failures, e.g. a lot of them for ascii table usage.
https://github.com/astropy/astroquery/actions/runs/…
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Playground code
```
from chimerax.core.commands import run
v_ = run(session, "volume gaussian #1 sdev 2")
v_.id
```
> Using "volume gaussian #1 sdev 2" reduces the 3.6A resolution to may…
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Per Raja, UniCarbKB evidence badges should say "UniCarbKB" but point to GlyGen datasets. I updated the xref_info.csv file so there are now four unicarbkb xref id's: Two are disabled so we can displa…
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File /.local/lib/python3.8/site-packages/monai/metrics/meandice.py", line 123, in compute_meandice
raise ValueError("y_pred and y should have same shapes.")
ValueError: y_pred and y should have …
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Hi,
I reinstalled DiffBindDock on a new PC using env.yaml. Nothing in this section was installed:
- pip:
- --extra-index-url https://download.pytorch.org/whl/cu117
- --find-links http…
CLG68 updated
4 months ago
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I’m attempting to get the DOCKQ score of a model of CAPRI target #50, from the score_set dataset. The model is named Target50_0000.pdb and the correct crystal structure is named Target50_3r2x.pdb. Bot…
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Hello! Thanks for your interesting paper!
I want to learn to train the model from scratch. I trained first the autoencoder on the KITTI dataset and it worked fine (I compared samples with the pretr…
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Hi,
I have a large dataset with thousands of mol2 files. I can get the partial charges when I upload them one-by-one, but if I upload the zipped folder on the website, I receive this error: "Invali…