#Drug Discovery

6 posts tagged with "Drug Discovery"

The Historical Accident That Split Drug Design in Two (And the Contrastive Model That Reunites It)

2026-01-30T16:00:00Z•12 min read

#drug discovery #contrastive learning #computational biology #virtual screening #protein-ligand interactions #graph neural networks #machine learning

Structure-based and ligand-based drug design evolved as separate fields solving the same problem. ConGLUDe, a contrastive geometric learning model, unifies both approaches and outperforms specialist methods on realistic benchmarks without requiring pre-defined binding pockets.

EDEN: 28 Billion Parameters for Programming Biology

2026-01-28T14:00:00Z•16 min read

#foundation models #computational biology #gene therapy #metagenomics #drug discovery #eden #basecamp research

Basecamp Research's EDEN model trains on proprietary environmental metagenomics to design gene-insertion enzymes, antimicrobial peptides, and synthetic microbiomes -- all validated in the wet lab.

ChemBERTa: When Language Models Learned to Speak Chemistry

2026-01-08T11:00:00Z•20 min read

#machine learning #chemistry #transformers #drug discovery #molecular property prediction

How the same transformer architecture powering GPT learned to predict molecular properties by treating chemistry as a language problem

MolBERT: Teaching Transformers to Read the Language of Chemistry

2026-01-08T10:00:00Z•21 min read

#machine learning #drug discovery #transformers #chemistry #smiles #bert

How researchers adapted BERT for molecular property prediction, turning SMILES strings into drug discovery insights

Biology's Secret Weapon: Physics-Based Benchmarks for Training RL Agents

2025-12-03•16 min read

#reinforcement learning #biological benchmarks #protein design #rna design #computational biology #machine learning #alphafold #drug discovery

Why biological systems offer the ideal training ground for reinforcement learning: automated verification through physics, not human judgment. From protein design with AlphaFold to RNA folding with ViennaRNA, biology provides the verifiable inverse problems that RL needs at scale.

Foundation Models Are Rewriting the Rules of Biology

2024-10-30T11:35:02Z•24 min read

#ai #machine learning #biology #bioinformatics #foundation models #alphafold #drug discovery #dark matter biology #rna #benchmarks #metagenomics

Foundation models trained on biological data are transforming protein structure prediction, genomics, drug discovery, and pathology. Learn how machine learning benchmarks in 2024 are revealing biology's dark matter through RNA analysis and metagenomic discovery.