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36 Open 25 Closed
36 Open 25 Closed
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Issues list

where I can get the total energy data in the jarvis dataset.
#170 opened Nov 7, 2024 by xiaowangfeng
8
'cif2cell' is not recognized as an internal or external command, operable program or batch file.
#169 opened Nov 1, 2024 by Dalabomba
2
Inquiry About Pretrained Model for Classification Task in ALIGNN
#167 opened Sep 9, 2024 by goodluckhu
1
How to training the model with multiple CPUs?
#164 opened Aug 13, 2024 by LTJer
1
warning message
#163 opened Aug 13, 2024 by LTJer
1
RuntimeError: The size of tensor a (536) must match the size of tensor b (300) at non-singleton dimension 1
#162 opened Jul 25, 2024 by yuuhaixia
3
Fail to realize it
#160 opened Jun 30, 2024 by xiaowangfeng
1
AttributeError: module 'profile' has no attribute 'run'
#158 opened Jun 28, 2024 by xiaowangfeng
7
Does ALIGNNTL works with ALIGNN 2024.2.4
#155 opened Jun 7, 2024 by antonf-ekb
5
Make pretrained.py (or similar) usable for ALIGNN FF
#150 opened Apr 19, 2024 by ironhammer269
use_canonize for inference through pretrained.py
#148 opened Apr 10, 2024 by ironhammer269
1
Generate val_test results after training as well
#147 opened Apr 5, 2024 by knc6
Make id_prop.json from vasprun.xml
#141 opened Mar 14, 2024 by knc6
1
Make conda-forge and environment.yml file for alignn
#133 opened Aug 11, 2023 by knc6
Graph construction for large-unit cell crystals (e.g., MOFs)
#121 opened Jun 24, 2023 by meiirbek-islamov
1
Python version>=3.9?
#118 opened Jun 22, 2023 by whyydsforever
7
train_folder_ff does not utilize GPU
#115 opened Jun 16, 2023 by rashigeek
4
Add feature for loading pretrained model for fine tuning for property models
#111 opened Jun 9, 2023 by knc6
Out of Memory Bug
#93 opened Mar 21, 2023 by jiruijin
14
Running ALIGNN on Multi-GPUs
#90 opened Jan 22, 2023 by aydinmirac
16
Classification model prediction
#85 opened Jan 10, 2023 by knc6
1
For same chemical composition in the dataset, add option to subtract mean value
#80 opened Dec 8, 2022 by knc6
CIF File non-iterable NoneType object Error
#79 opened Nov 16, 2022 by aydinmirac
5
OMDB Dataset Performance
#68 opened Aug 2, 2022 by aydinmirac
Order of edge-gated graph convolutions?
#67 opened Jul 25, 2022 by rees-c
2
ProTip! Adding no:label will show everything without a label.