Papers

A multi-modal co-attention model for accurate drug-target interaction prediction.

Artificial Intelligence in Selected Domains of Drug Discovery: A Critical Narrative Review.

Research progress of artificial intelligence in high-throughput drug screening.

Protein Design Enters the Artificial Intelligence Era: Foundations, Tools, and Emerging Paradigms.

Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction

Simulating 500 million years of evolution with a language model.

Boltz-1 Democratizing Biomolecular Interaction Modeling

Protein language models learn evolutionary statistics of interacting sequence motifs.

Chai-1: Decoding the molecular interactions of life

AlphaFold Protein Structure Database in 2024: providing structure coverage for over 214 million protein sequences.

PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences.

De novo design of protein structure and function with RFdiffusion.

Evolutionary-scale prediction of atomic-level protein structure with a language model.

Robust deep learning-based protein sequence design using ProteinMPNN.

ProtTrans: Toward Understanding the Language of Life Through Self-Supervised Learning.

ProtGPT2 is a deep unsupervised language model for protein design.

AlphaFold Protein Structure Database: massively expanding the structural coverage of protein-sequence space with high-accuracy models.

FLIP: Benchmark tasks in fitness landscape inference for proteins

Highly accurate protein structure prediction with AlphaFold.

Evaluating Protein Transfer Learning with TAPE.