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Dear developers!
Actually, my request belongs to [this](https://github.com/NU-CUCIS/ALIGNNTL) reporistory for the ALIGNN transfer learning project, but since I have not received a reply on the issue …
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## 📚 Documentation
Exception thrown when I `import dgl`:
```
Traceback (most recent call last):
File "", line 1176, in _find_and_load
File "", line 1147, in _find_and_load_unlocked
…
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Ran `tools/mac_setup.sh` on commit 133f25eecbd7be2343624c8ed3c426663bd027e5
```
(.venv) macbookair:openpilot adeebshihadeh$ scons
scons: Reading SConscript files ...
scons: done reading SConscri…
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Dear developers,
I tried to calculate charge distribution of positively charged molecules using espaloma charge v 0.0.8 from pip distribution, but the resulting partial atomic charges always sum to …
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## 🔨Work Item
**IMPORTANT:**
* This template is only for dev team to track project progress. For feature request or bug report, please use the corresponding issue templates.
* DO NOT create a new…
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- [ ] Support bcrawl
- [ ] Support Sizzell
- [ ] Support experimental build
- [x] cron - ttyrec compressing
- [x] #97
- [x] #96
- [x] wong .rc, .macro, where, lst nginx content format
- [x] Fix…
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## 🐛 Bug
Somehow `post300` is appended for the target so name which results in failure to find it as the expected name is `libgraphbolt_pytorch_2.3.0.so`.
See more details in https://discuss.dgl…
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### I'm submitting a
- [x ] feature request.
It would be nice to have in `kglab` some support for Graph Machine Learning using DGL Python library:
* https://docs.dgl.ai/en/0.4.x/tutorials/basics…
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## 🐛 Bug
```
ld: warning: multiple common of .gomp_critical_user_.var
ld: error: duplicate symbol: libxsmm_verbosity
>>> defined at libxsmm_generator.c:31 (/usr/ports/math/dgl/work/dgl-2.2.1/thi…
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I was trying to reproduce the notebooks to train the PSCDB data set but I can not find this function:
from graphein.construct_graphs import ProteinGraph
Any way you can help me with this?
BW,
…