gmattedi

Giulio Mattedi's repositories

SMILES-based CharLSTM with finetuning and goal-directed generation via policy gradient

Language:Python5 10

GNN-based QSAR classification and regression models

Language:Python4 10

An implementation of a SMILES-to-SMILES transformer

Language:Python300

Object-oriented Representation for Chemical Spaces

Language:Jupyter NotebookMIT1 1 20

Minimal Flask molecule depictor

Language:Python000

Cheminformatics Jupyter notebooks

Language:Jupyter Notebook010

Posters and Papers

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Simple QSAR training and inference demo using large language models

Language:Jupyter Notebook010