Stars
Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
Generative AI for designing easily synthesizable small molecule drugs
Memory Sparse Attention - A scalable, end-to-end trainable latent-memory framework for 100M-token contexts.
The agent harness performance optimization system. Skills, instincts, memory, security, and research-first development for Claude Code, Codex, Opencode, Cursor and beyond.
AI agents running research on single-GPU nanochat training automatically
GitNexus: The Zero-Server Code Intelligence Engine - GitNexus is a client-side knowledge graph creator that runs entirely in your browser. Drop in a git repository (Github, Gitlab, Azure, Local) or…
A generalized computational framework for biomolecular modeling.
Central repository for biomolecular foundation models with shared trainers and pipeline components
Fast indexing and search of discontinuous motifs in protein structures
A benchmark dataset for protein-ligand co-folding prediction
Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"
Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning
Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >
Janus-Series: Unified Multimodal Understanding and Generation Models
TorchCFM: a Conditional Flow Matching library
Official repository for the Boltz biomolecular interaction models
Repository for the 2024 OpenFE industry benchmark efforts
AI-powered ab initio biomolecular dynamics simulation
Automated Adaptive Absolute alchemical Free Energy calculator
Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 oral]
Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
ECloudGen: Leverage Quantum Physics to Scale Chemical Space for Structure-based Molecular Design