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Issues list

please redistribute these two datasets, The Materials Project database and The Perovskite database
#46 opened Nov 15, 2024 by qwertyuiopasdfghjklzxcn
I want to extract the structural features extracted by CGCNN and use them for other machine learning, and how should I achieve it?
#45 opened Sep 19, 2024 by white1102hue
struct = Structure.from_dict(entry["structure"]) # Pymatgen structure KeyError: 'structure'
#44 opened May 26, 2024 by xiaowangfeng
Bulid the element vector
#41 opened Oct 8, 2023 by Aiartanis
1
Multiclass classification
#40 opened Jun 7, 2023 by gianmarco-terrones
1
Size mismatch when loading pre-trained models
#37 opened May 6, 2022 by Rich2333
6
Question about fetching Materials Project Data
#35 opened Apr 1, 2022 by shuix007
2
Could you please tell me why do you use one hot encode?
#34 opened Feb 24, 2022 by A-zhudong
How to understand the shape of "nbr_fea_idx" in the code
#33 opened Dec 14, 2021 by Powerd0g
2
Add CIF module to be installed in the environment in README file
#32 opened Oct 6, 2021 by mairagatti
2
The problem of using the Materials Project database and the Perovskite database
#31 opened Oct 5, 2021 by yuyouyu32
3
Data construction specifics
#29 opened Aug 20, 2021 by MichaelHopwood
2
The setting of hyperparameters to get the best performance
#28 opened Aug 20, 2021 by A-zhudong
2
why the cgcnn model cannot predict graphene and diamond?
#27 opened Mar 4, 2021 by Amadeus-System
3
Predict at atom level
#26 opened Feb 11, 2021 by ma763
3
Description for Materials Project .csv files
#25 opened Jan 30, 2021 by sgbaird
4
How to run CGCNN through Jupyter or Python interface
#22 opened Jan 6, 2021 by sgbaird
4
How to understand output to generate crystal graphs without training model
#21 opened Sep 29, 2020 by vmeschke
6
CGCNN can't run on certain CIF files
#20 opened Jun 30, 2020 by noortitan
4
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