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CGCNN

Status: Open.

#50 In txie-93/cgcnn;

· ingyeong427 opened on Aug 7, 2025

please redistribute these two datasets, The Materials Project database and The Perovskite database

Status: Open.

#46 In txie-93/cgcnn;

· qwertyuiopasdfghjklzxcn opened on Nov 15, 2024

I want to extract the structural features extracted by CGCNN and use them for other machine learning, and how should I achieve it?

Status: Open.

#45 In txie-93/cgcnn;

· white1102hue opened on Sep 19, 2024

struct = Structure.from_dict(entry["structure"]) # Pymatgen structure KeyError: 'structure'

Status: Open.

#44 In txie-93/cgcnn;

· xiaowangfeng opened on May 26, 2024

Bulid the element vector

Status: Open.

#41 In txie-93/cgcnn;

· Aiartanis opened on Oct 8, 2023

Multiclass classification

Status: Open.

#40 In txie-93/cgcnn;

· gianmarco-terrones opened on Jun 7, 2023

Size mismatch when loading pre-trained models

Status: Open.

#37 In txie-93/cgcnn;

· Rich2333 opened on May 6, 2022

Question about fetching Materials Project Data

Status: Open.

#35 In txie-93/cgcnn;

· shuix007 opened on Apr 1, 2022

Could you please tell me why do you use one hot encode?

Status: Open.

#34 In txie-93/cgcnn;

· A-zhudong opened on Feb 24, 2022

How to understand the shape of "nbr_fea_idx" in the code

Status: Open.

#33 In txie-93/cgcnn;

· Powerd0g opened on Dec 14, 2021

Add CIF module to be installed in the environment in README file

Status: Open.

#32 In txie-93/cgcnn;

· mairagatti opened on Oct 6, 2021

The problem of using the Materials Project database and the Perovskite database

Status: Open.

#31 In txie-93/cgcnn;

· yuyouyu32 opened on Oct 5, 2021