Virtual Screening

4 articles


FAMOUS LABSHeisenbergQuantum-informed molecule prioritizationelectron densityclosed-loop AIsynth feasibilityEvery molecule comes with a hypothesis
Virtual Screening

Famous Labs Launches Heisenberg, a Quantum-Informed AI System for Small Molecule Drug Discovery

Famous Labs launched Heisenberg, a quantum-informed AI platform that integrates electron-density molecular representations with ADMET and synthesis data to optimize molecule prioritization in drug discovery.

·2 min
AlphaFold 3IsoDDEProtein-ligand prediction2× more accurateAntibody-antigen structures2.3× vs AF3, 19.8× vs BoltzNovel binding pocketsfrom sequence aloneBinding affinitybeats FEP at fraction of costIsomorphic Labs · February 2026
Structure Prediction

Isomorphic Labs Unveils IsoDDE Drug Design Engine, Doubling AlphaFold 3's Accuracy in Protein-Ligand Prediction

Isomorphic Labs unveiled IsoDDE, an AI drug design engine that more than doubles AlphaFold 3's accuracy in protein-ligand prediction and identifies novel binding pockets from sequence alone, as the company prepares for its first clinical trials.

·2 min
Building open datasets forAI drug discovery€60MPFESGC18partners9countries5-year project · Led by Pfizer + SGCProtein-ligand binding data made freely availablefor the entire research community
Virtual Screening

LIGAND-AI Consortium Launches with 60 Million Euros to Build Open AI Drug Discovery Datasets

The LIGAND-AI consortium launched with over 60 million euros in EU funding, bringing 18 partners led by Pfizer and the SGC together to generate open datasets of protein-ligand interactions for training AI drug discovery models.

·2 min
NVIDIA×Eli Lilly$1B5-year AI co-innovation lab · South San FranciscoBioNeMo + Blackwell DGX SuperPOD · scientist-in-the-loop
Platform

NVIDIA and Eli Lilly Announce $1 Billion AI Co-Innovation Lab to Reinvent Drug Discovery

NVIDIA and Eli Lilly announced a $1 billion AI co-innovation lab in South San Francisco, combining Lilly's pharmaceutical expertise with NVIDIA's BioNeMo platform and Blackwell-powered supercomputing to reinvent drug discovery.

·2 min

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