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By the time we get to our first `convert_namespace_to_omegaconf` call, we already have:
```
# from hydra.core.config_store import ConfigStore
(Pdb) cs = ConfigStore.instance()
(Pdb) cs.repo.keys()…
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Working on cleaning up test suite. Example datasets need to be cleaned up a little bit.
The source seems to be mismatch of data types between the variable and the `missing_value` attribute. Doi…
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HI, I would like to ask how do I get groundtruth contact from the PDB file in your provided dataset.
Thanks.
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Hello,
Is it possible to use ipdb (or pdb) inside steps? On my code, it hangs without showing anything.
I have something like:
```python
class MyTrain(FlowSpec):
@step
def start…
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I am trying to follow the tutorial and have written the following code:
import os.path as osp
import mmcv
import numpy as np
import pdb
# The new config inherits a base config to highlig…
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I discovered this while investigating issue #4.
## Expected behavior ##
MDAReporter successfully creates a H5MD file.
## Actual behavior ##
MDAReporter is failing within the H5MD writer.
…
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Hi Team EVCouplings,
Is it possible to run EVCouplings to automatically search against UNIPROT's Alphafold dataset, e.g. instead of the PDB?
zach cp
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**Describe the bug**
Round trip Potcar parsing results in a warning that's not present when writing input.
**To Reproduce**
```
import unittest
from pymatgen.io.vasp.sets import MPRelaxSet
fro…
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- [x] PePr2DS: Title: PePr2DS (remove “Peripheral Protein Protrusion Dataset”) - DX
- [ ] PePr2DS: Text to explain what it is the website about and link to a longer description - TT, NR, DX
- [x] P…
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Hello author,
It is impossible to create the protein embedding files because of an error while saving the file.
It seems the embeddings have different shapes and can not be saved together in a s…