SimoneGallarati
Postdoctoral researcher in the Sigman and Doyle Labs, applying and developing data-driven computational tools to understand and optimise chemical reactions
Sigman LabSalt Lake City
Pinned Repositories
Figures
chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
GoodVibes
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections