Hao (Flower) Xu's repositories
APRILE-Exp
This is the repository for reproducing results in "APRILE: Exploring the Molecular Mechanisms of Drug Side Effects with Explainable Graph Neural Networks".
APRILE-Pred
PoSe-Model: A simplified TIP model for drug side effect prediction (Under development...)
DrugDiscovery
An explainable inductive learning model on gene regulatory and toxicogenomic knowledge graph (under development...)
cse282-nutriomics-project
Solving combinatorial selection of nutrients to treat patients with low abundance microbes
DeepPurpose
A Drug-Target Interaction Prediction Toolkit with State-of-the-Art Deep Learning Methods and its Applications in Drug Repurposing and Virtual Screening
denovopipeline
Pipeline for de novo peptide sequencing (Novor, DeepNovo, SMSNet, PointNovo, Casanovo) and assembly with ALPS.
drug-repurposing-leishmaniasis
This is the sub working repository for "Compound Screening with Deep Learning for NeglectedDiseases: Leishmaniasis." (MLCB, 2021)
gnn-model-explainer
gnn explainer
google-research
Google Research
prosit
Prosit offers high quality MS2 predicted spectra for any organism and protease as well as iRT prediction. When using Prosit is helpful for your research, please cite "Gessulat, Schmidt et al. 2019" DOI 10.1038/s41592-019-0426-7
prosittransformer
on predictions of ms2-spectra
pykale
Knowledge-Aware machine LEarning (KALE): accessible machine learning from multiple sources for interdisciplinary research, part of the 🔥PyTorch ecosystem