Stars
Implement of "Global and Local Topology-Aware Graph Generation via Dual Conditioning Diffusion".
构建受监督的、自我进化的 Agent 组织的基础设施 | Infrastructure for supervised, self-improving agent organization. 从飞书/Telegram 运行 Claude Code，共享记忆、Agent 工厂、定时任务、通信总线。
Official Code for "GeoPT: Scaling Physics Simulation via Lifted Geometric Pre-Training" https://arxiv.org/pdf/2602.20399
Your own personal AI assistant. Any OS. Any Platform. The lobster way. 🦞
Generative modeling of molecular dynamics trajectories
AgentFlow: In-the-Flow Agentic System Optimization
Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"
Papers about Structure-based Drug Design (SBDD)
[ICLR 2025 Spotlight] Boltzmann-Aligned Inverse Folding Model as a Predictor of Mutational Effects on Protein-Protein Interactions
PyTorch implementation of FractalGen https://arxiv.org/abs/2502.17437
Fast protein backbone flexibility prediction model
Flexibility-conditioned protein structure design
Energy-guided binder design pipeline built on BindCraft
[ICLR 2025] CheapNet: Cross-attention on Hierarchical representations for Efficient protein-ligand binding Affinity Prediction
Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)
Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
Official repository for the Boltz biomolecular interaction models
Target Sequence-Conditioned Generation of Peptide Binders via Masked Language Modeling
[ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension
Predicting mutational effects on protein binding from folding energy. ICML 2025.
A Unified Evaluation Suite for Protein Design