Prediction energy of mols with MEGNet
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Updated
Dec 18, 2024 - Jupyter Notebook
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materialscience
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Chemical-Family Domain Shift in Pretrained ALIGNN Data Efficiency for Oxide vs. Nitride Formation Energy Prediction
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Updated
Jul 27, 2026 - Python
Computationally characterizing Metal-Organic Frameworks (MOFs) via graph sparsification with Inverse Link Prediction using GCNs
cheminformatics gcn sparsification computationalchemistry mofgalaxynet graphsparsification inverselinkprediction metalorganicframeworks materialscience porelimitingdiameter
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Updated
Jun 30, 2025 - Jupyter Notebook
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