A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

TIP: Tri-graph Interaction Propagation model for Polypharmacy Side Effect Prediction (GRL@NeurIPS, 2019)

Comprehensive bioinformatics platform for precision medicine. Explore drug-gene interactions, pharmacokinetics, clinical trials, and drug repurposing. 20+ research modules. Free & open-source (MIT).

This OpenEnv environment simulates a real clinical safety workflow: triaging drug-drug interactions (DDIs) for older adults with polypharmacy.

Honest evaluation of emergent 3-drug interaction prediction from FAERS using GNNs

Explainable polypharmacy ADR prediction using heterogeneous biomedical knowledge graphs (PrimeKG + Decagon) and ClinicalBERT-attributed graph neural networks. MTech thesis, IIT Patna 2026.