ALIGNN-BERT-TL codebase
Year: 2024
Type: article
Abstract: This repository contains the code for Hybrid-LLM-GNN transfer learning framework to predict materials properties using concatenated embeddings extracted from ALIGNN and BERT models. The code provides the following functions:Generate string representations of provided crystal samples using NLP tools: Robocystallographer and ChemNLPUse a pre-trained BERT/MatBERT langugae model to extract context-aware word embeddings from text descriptions of a given crystal structureConcatenate LLM embeddings with ALIGNN embeddings obtained from feature-extraction-based ALIGNNTLPost-analysis script for model performance analysis and text-based model explanation
Source: Figshare
Author: Li, Youjia
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6977558315
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