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CompRhys
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aviary
The Wren sits on its Roost in the Aviary.
MIT License
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Add due.dcite to address #67
#89
CompRhys
closed
2 months ago
0
Remove torch scatter dep
#88
CompRhys
closed
1 month ago
1
Allow checkpoint name to be set explicitly.
#87
CompRhys
closed
3 months ago
0
Checkpoint every 10
#86
CompRhys
closed
3 months ago
0
Fix `checkpoint_model`
#85
janosh
closed
3 months ago
0
Adopt protostructure naming
#84
CompRhys
closed
3 months ago
0
Improvements to the Wyckoff manipulation functions
#83
CompRhys
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#82
pre-commit-ci[bot]
closed
4 months ago
0
Allow InMemoryDataLoader to store tensors in RAM
#81
CompRhys
closed
4 months ago
0
[pre-commit.ci] pre-commit autoupdate
#80
pre-commit-ci[bot]
closed
7 months ago
0
[pre-commit.ci] pre-commit autoupdate
#79
pre-commit-ci[bot]
closed
10 months ago
0
Follow `get_crystal_sys`->`crystal_sys_from_spg_num` rename in `pymatviz`
#78
janosh
closed
11 months ago
0
Breaking: rename robust loss functions
#77
janosh
closed
1 year ago
0
pre-commit autoupdate
#76
pre-commit-ci[bot]
closed
1 year ago
0
Fix `get_aflow_label_from_spglib`
#75
janosh
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#74
pre-commit-ci[bot]
closed
1 year ago
0
More `ruff`
#73
janosh
closed
1 year ago
0
Is there matbench benchmark result for Wrenformer?
#72
hongshuh
opened
1 year ago
6
[pre-commit.ci] pre-commit autoupdate
#71
pre-commit-ci[bot]
closed
1 year ago
0
Fix `setuptools.packages.find`
#70
janosh
closed
1 year ago
0
Fix ruff errors
#69
janosh
closed
1 year ago
0
Pyproject
#68
janosh
closed
1 year ago
0
Add Implementors and References as properties of the models?
#67
CompRhys
closed
2 months ago
1
Add code to Base Class to make it easier to extract the learnt embeddings from the models.
#66
CompRhys
closed
4 months ago
0
How to extract learned representation for transfer learning
#65
sarah-allec
closed
1 year ago
2
[pre-commit.ci] pre-commit autoupdate
#64
pre-commit-ci[bot]
closed
1 year ago
0
How to predict on new materials with saved pytorch file
#63
sarah-allec
closed
1 year ago
10
Add `devcontainer.json` and links to open example notebooks in codespace
#62
janosh
closed
1 year ago
1
Model agnostic wandb logging
#61
janosh
closed
1 year ago
0
Refactor `examples/wrenformer/{mp_wbm,matbench}/slurm_submit.py`
#60
janosh
closed
2 years ago
2
[pre-commit.ci] pre-commit autoupdate
#59
pre-commit-ci[bot]
closed
2 years ago
0
New colab notebooks using TAATA as data set
#58
CompRhys
closed
2 years ago
0
TypeError: 'NoneType' object is not iterable
#57
PinwenGuan
closed
2 years ago
4
Train Wrenformer ensemble on MP `e_form` 2022
#56
janosh
closed
2 years ago
0
Rename Wyckoff utility functions
#55
janosh
closed
2 years ago
0
Wren: Why does averaging of augmented Wyckoff positions happen inside the NN, after message passing?
#54
sgbaird
closed
2 years ago
11
Add `nbstripout` `pre-commit` hook
#53
janosh
closed
2 years ago
0
[pre-commit.ci] pre-commit autoupdate
#52
pre-commit-ci[bot]
closed
2 years ago
0
More git history surgery
#51
CompRhys
closed
2 years ago
4
Wrenformer ensemble predictions
#50
janosh
closed
2 years ago
0
Include `model_params` in Wrenformer checkpoints
#49
janosh
closed
2 years ago
0
Add support for `ReduceLROnPlateau` in `run_wrenformer()`
#48
janosh
closed
2 years ago
0
Fix Wrenformer scheduler
#47
janosh
closed
2 years ago
0
Add test module for package health
#46
janosh
closed
2 years ago
1
Ensure `setup.py` includes all JSON files in package
#45
janosh
closed
2 years ago
0
Wrenformer
#44
janosh
closed
2 years ago
1
Add `InMemoryDataLoader`
#43
janosh
closed
2 years ago
0
Handle `Dataset` and `Subset` in `train_ensemble()` and `results_multitask()`
#42
janosh
closed
2 years ago
0
`train_ensemble` and `results_multitask` only accept `torch.utils.data.Subset`
#41
janosh
closed
2 years ago
0
Add kwarg `verbose=False` to `train_ensemble()`
#40
janosh
closed
2 years ago
0
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