☆19Dec 16, 2024Updated last year
Alternatives and similar repositories for DualDiff
Users that are interested in DualDiff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)☆14Aug 29, 2024Updated last year
- ☆19Oct 26, 2024Updated last year
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆74Jul 27, 2023Updated 2 years ago
- The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)☆18Feb 23, 2024Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆43Apr 2, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆57Sep 6, 2024Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆20Mar 4, 2025Updated last year
- Rethinking the Trust Region in LLM Reinforcement Learning☆54Mar 2, 2026Updated 2 months ago
- SE(3) diffusion models for generating CDR loops☆10Feb 6, 2024Updated 2 years ago
- Official implementation of "BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design" (Advan…☆31Jul 24, 2025Updated 9 months ago
- This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)☆43Jun 17, 2024Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated 2 years ago
- ECloudGen: Leverage Quantum Physics to Scale Chemical Space for Structure-based Molecular Design☆19Feb 27, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆339Jan 10, 2024Updated 2 years ago
- ☆19Sep 4, 2025Updated 8 months ago
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"☆21May 15, 2025Updated last year
- Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"☆13Jul 18, 2025Updated 10 months ago
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆15Mar 17, 2025Updated last year
- parKVFinder: thread-level parallel KVFinder☆16May 9, 2025Updated last year
- Efficient 3D molecular generation with flow-matching and Semla☆59Jul 22, 2025Updated 10 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆216Mar 22, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- benchmarking AI-powered docking methods from the perspective of virtual screening☆34Dec 26, 2024Updated last year
- ☆19Jun 27, 2024Updated last year
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆19Dec 24, 2024Updated last year
- Code for "Variational Reasoning for Language Models"☆60Sep 29, 2025Updated 7 months ago
- Token-Mol 1.0：tokenized drug design with large language model☆63Dec 9, 2025Updated 5 months ago
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- Educational Implementation of "Edit Flows: Flow Matching with Edit Operations" by Havasi et al.☆42Oct 17, 2025Updated 7 months ago
- [NeurIPS2025 Spotlight 🔥 ] Official implementation of "UniSite: The First Cross-Structure Dataset and Learning Framework for End-to-End …☆39Nov 26, 2025Updated 5 months ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆24May 22, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆10Jun 24, 2023Updated 2 years ago
- ☆16Jul 6, 2023Updated 2 years ago
- ☆14Jan 11, 2022Updated 4 years ago
- ☆21Dec 22, 2024Updated last year
- ☆23Mar 11, 2023Updated 3 years ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆28Dec 2, 2025Updated 5 months ago
- A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)☆25Nov 6, 2024Updated last year