gmattedi

Cheminformatics Specialist @Kvantify

@isomorphiclabsLondon

Pinned Repositories

chemicalspace
Object-oriented Representation for Chemical Spaces
Language:Jupyter Notebook1 1 200
MolDepictor
Minimal Flask molecule depictor
Language:Python00
MolGNN
GNN-based QSAR classification and regression models
Language:Python4 1 02
notebooks
Cheminformatics Jupyter notebooks
Language:Jupyter Notebook0 1 00
presentations
Posters and Papers
00
qsar-llm
Simple QSAR training and inference demo using large language models
Language:Jupyter Notebook00
Smiles-LSTM
SMILES-based CharLSTM with finetuning and goal-directed generation via policy gradient
Language:Python5 1 01
SmilesTransformer
An implementation of a SMILES-to-SMILES transformer
Language:Python21

gmattedi's Repositories

gmattedi/Smiles-LSTM
SMILES-based CharLSTM with finetuning and goal-directed generation via policy gradient
Language:Python5 1 01
gmattedi/MolGNN
GNN-based QSAR classification and regression models
Language:Python4 1 02
gmattedi/SmilesTransformer
An implementation of a SMILES-to-SMILES transformer
Language:Python21
gmattedi/chemicalspace
Object-oriented Representation for Chemical Spaces
Language:Jupyter Notebook1 1 200
gmattedi/MolDepictor
Minimal Flask molecule depictor
Language:Python00
gmattedi/notebooks
Cheminformatics Jupyter notebooks
Language:Jupyter Notebook0 1 00
gmattedi/presentations
Posters and Papers
00
gmattedi/qsar-llm
Simple QSAR training and inference demo using large language models
Language:Jupyter Notebook00