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Some dependencies (so far only `pint` has been spotted as the culprit) are still being imported by default in some repositories, making installations without the `full` dependency fail when using DLit…
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I spent some time investigating the slowness of the `li-ion-conductors` optimade database.
Here's the info endpoint: https://dev-optimade.materialscloud.org/archive/li-ion-conductors/v1/info
Acc…
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There are many issues in the OPTIMADEStructureAttributes datamodel.
`nelements` is used both as a dimension and as a property. It can only be one of them, in this `nelements`.
Same with `nsites`…
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### Expected behavior
schnet_dgl.py example should run in environment without torch_geometric
### Actual behavior
Running the schnet_dgl example in an environment without pytorch geometric it crash…
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### Expected behavior
m3gnet_dgl example runs without error
### Actual behavior
the example crashes during the first epoch
```
/home/sjonathan/anaconda3/envs/fireworks_forcefield/lib/python3.10/s…
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### Describe the bug
Mutating nodes when iterating over the results of the QueryBuilder causes memory usage to keep growing. I can't do large queries & mutate the extras without running out of memo…
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Opening the app takes a quite long time, check https://github.com/ispg-group/aiidalab-ispg to see how it benchmarks the time of loading and benchmark to find the bottleneck widgets.
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I tried to follow the instructions as described in https://www.optimade.org/optimade-python-tools/latest/deployment/container/
When I do :
```
docker run \
--rm \
--detach \
--publis…
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Hi MP devs, would there be any interest in exposing (presumably PBE) formation energies and hull distances via the MP OPTIMADE API? This would involve adding custom `_mp_hull_distance` (or whatever) f…
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**Submitting author:** @markus1978 (Markus Scheidgen)
**Repository:** https://github.com/nomad-coe/nomad
**Branch with paper.md** (empty if default branch): paper
**Version:** v1.2.1
**Editor:** @zhub…