ggonzalezp
Senior ML Scientist @ Prescient Design, Genentech | Roche. Geometric Deep Learning, Drug Design
Prescient Design, Genentech | Roche
ggonzalezp's Stars
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
DeepGraphLearning/torchdrug
A powerful and flexible machine learning platform for drug discovery
a-r-j/graphein
Protein Graph Library
daiquocnguyen/Graph-Transformer
Universal Graph Transformer Self-Attention Networks (TheWebConf WWW 2022) (Pytorch and Tensorflow)
brain-research/deep-molecular-massspec
Mass Spectrometry for Small Molecules using Deep Learning
emreg00/toolbox
Toolbox - generic utilities for data processing (e.g., parsing, proximity, guild scoring, etc...)
zaixizhang/Awesome-SBDD
Papers about Structure-based Drug Design (SBDD)
cmap/lincs-workshop-2020
CMap Notebooks for LINCS 2020 Workshop
VGligorijevic/deepNF
Deep Network Fusion (deepNF)
danasilv/Diffuse2Direct
Orientation of the protein-protein interaction network using network diffusion techniques
ChantalMP/Exploiting-Food-Embeddings-for-Ingredient-Substitution
Official repository of the paper "Exploiting Food Embeddings for Ingredient Substitution".