Skip to content

Issues: usnistgov/alignn

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

37 Open 25 Closed
37 Open 25 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Per-material input features
#171 opened Nov 25, 2024 by tawe141
1
where I can get the total energy data in the jarvis dataset.
#170 opened Nov 7, 2024 by xiaowangfeng
9
'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
ProTip! Exclude everything labeled bug with -label:bug.