Savoie-Research-Group
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MultiModalTransformer
MultiModalTransformer PublicImplementation of multimode transformer architecture used for graph2graph, spectra2graph, and graph+spectra2rgaph prediction tasks
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- COGA Public
A Genetic Algorithm which accepts structural and thermodynamic molecular data to parametrize CGMD force fields.
Savoie-Research-Group/COGA’s past year of commit activity - papers Public
Repository for storing light code, scripts, notebooks, and data associated with Savoie-Research-Group publications
Savoie-Research-Group/papers’s past year of commit activity - MultiModalTransformer Public
Implementation of multimode transformer architecture used for graph2graph, spectra2graph, and graph+spectra2rgaph prediction tasks
Savoie-Research-Group/MultiModalTransformer’s past year of commit activity - Delta2 Public
Pytorch implementation of our ∆2 model for predicting high-level fixed point properties from low-level fixed point geometries.
Savoie-Research-Group/Delta2’s past year of commit activity - EGAT Public
Edge-Featured Graph Attention Network (EGAT) implementation for reaction and molecular property prediction
Savoie-Research-Group/EGAT’s past year of commit activity - main Public
Savoie-Research-Group/main’s past year of commit activity
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