NVIDIA BioNeMo blueprint for generative AI-based virtual screening

DrugPipe: Generative artificial intelligence-assisted virtual screening pipeline for generalizable and efficient drug repurposing

Terraform stack to deploy Nvidia's generative virtual screening for drug discovery blueprint to OCI

This repository introduces a proof-of-concept toolkit for generative virtual screening, combining seed-based molecule generation, QSAR predictions, retrosynthesis, and reaction yield estimation powered by Hugging Face transformer models.

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Generative AI-enhanced Virtual Screening: a hybrid strategy for identifying novel ROCK2 inhibitors

Generative AI-driven discovery of novel antimalarial compounds using REINVENT and ChemProp (GNN) with virtual screening, drug-likeness evaluation, and scaffold analysis.

Drug discovery is slow, costly, and inefficient, taking years to develop a single drug. Our AI-Driven Drug Discovery Platform leverages ML and generative AI to predict drug-target interactions, accelerate virtual screening, and reduce R&D costs—helping researchers discover and develop life-saving treatments faster.