database crystallography metal-organic-frameworks disorder-prediction positive-unlabeled-learning cgcnn
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Dec 24, 2025 - Python
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cgcnn
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Automate everything with python
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Jan 28, 2024 - Python
This repo contains all the work done during the Mitacs GRI'23.
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Aug 17, 2023 - Python
Predicting lithium cathode properties (voltage, capacity, formation energy, stability) from crystal structure using CGCNN, M3GNet, TensorNet, Random Forest, and XGBoost on data from Materials Project, OQMD, AFLOW, and JARVIS
machine-learning battery xgboost crystal-structure materials-science lithium-ion graph-neural-network streamlit-dashboard cgcnn materials-project
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Mar 15, 2026 - Python
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