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Francesca Grisoni (@grisoniFr)

grisoniFr

Stars
72
Global Rank 263,672 (Top 10 %)
Followers 75
Following 27
Registered over 6 years ago
Most used languages

Jupyter Notebook
50.0 %

Python
25.0 %

MATLAB
25.0 %
Location 🇳🇱 Netherlands
Country Total Rank 4,681
Country Ranking

Jupyter Notebook
158

MATLAB
222

Python
1,498

scaffold_hopping_whales

Code to perform scaffold hopping and virtual screening using WHALES descriptors.

Jupyter Notebook

whales_descriptors

python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors

de_novo_design_RNN

Code for "De novo molecular design with chemical language models"

Jupyter Notebook

ISC2021_QSAR

Materials for the International School of Chemometrics 2021