gvisani

allegro-copy

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

chi-angles

enzyme_promiscuity

graph_denoiser

Holographic-VAE

hpacker

nequip-copy

NequIP is a code for building E(3)-equivariant interatomic potentials

EPP

Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"

aced-hmm-hospitalized-patient-trajectory-model

Code for a model of how COVID-19 patients progress through stages of care in the hospital. Includes ability to forecast from the model, as well as simulation-based inference.

covid19-forecasting

Simulation software for forecasting demand at various stages of hospitalization

gvisani/Holographic-VAE

gvisani/hpacker

gvisani/allegro-copy

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

gvisani/chi-angles

gvisani/enzyme_promiscuity

gvisani/graph_denoiser

gvisani/nequip-copy

NequIP is a code for building E(3)-equivariant interatomic potentials

gvisani/understand_xlm-r

gvisani/ProteinMPNN-copy

Code for the ProteinMPNN paper

gvisani/TCRdock-copy

python tools for TCR:peptide-MHC modeling and analysis