Official Python implementation for the paper accepted at ICLR 2026 'Beyond Ensembles: Simulating All-Atom Protein Dynamics in a Learned Latent Space'.

CheMeleon Descriptor-based Foundation Model

Protein Language Modeling beyond static folds reveals sequence-encoded flexibility

BioDSA: Framework for Vibe Prototyping of AI Agents for Biomedicine

Wang, Z., Danek, B., Yang, Z. et al. Making large language models reliable data science programming copilots for biomedical research. Nat. Biomed. Eng (2026). https://doi.org/10.1038/s41551-025-015…

FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer

SE(3) Equivariant Flow Matching for Property-Guided Conditional Molecular Generation.

GitHub Copilot CLI brings the power of Copilot coding agent directly to your terminal.

Medea: An omics AI agent for therapeutic discovery

Interactive dashboard for AI-Accelerated Biological Discovery Model

a set of SKILLS.md for doing bioinformatics with agents like claude code

🤖 A Python library for learning and evaluating knowledge graph embeddings

ImaGene: A multimodal ML/AI software with guided operational reports and supporting files

Deep Integrative Discriminant Analysis (Deep IDA) for Multi-view Data With Feature Ranking

Deep learning tools for peptide substrate prediction and generation

[NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening

A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger

Pocket Detection part of "Drug The Whole Genome" project

Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)

Verifying Facts in LLM-Generated Clinical Text with Electronic Health Records

CC Workflow Studio

Modelling human health trajectories using generative transformers