SeulLee05 / MOODView external linksLinks
Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
☆40May 19, 2024Updated last year
Alternatives and similar repositories for MOOD
Users that are interested in MOOD are comparing it to the libraries listed below
Sorting:
- Official Code Repository for the paper "Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations" (I…☆186Nov 16, 2023Updated 2 years ago
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32May 23, 2024Updated last year
- Code for our paper "Unlocking Guidance for Discrete State-Space Diffusion and Flow Models"☆33Apr 18, 2025Updated 9 months ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆29Sep 30, 2025Updated 4 months ago
- Code for "Multi-Objective GFlowNets"☆17Jul 12, 2023Updated 2 years ago
- Derivative-Free Guidance in Diffusion Models with Soft Value-Based Decoding. For controlled generation in DNA, RNA, proteins, molecules (…☆36Jan 7, 2026Updated last month
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆20Nov 6, 2024Updated last year
- Official Code for Local Search GFlowNets (ICLR 2024 Spotlight)☆24Feb 27, 2025Updated 11 months ago
- Official codebase for GTA: Generative Trajectory Augmentation with Guidance for Offline Reinforcement Learning.☆29Nov 12, 2024Updated last year
- SEIKO is a novel reinforcement learning method to efficiently fine-tune diffusion models in an online setting. Our methods outperform all…☆29Jul 18, 2024Updated last year
- ☆11Feb 2, 2024Updated 2 years ago
- LillyMol Public Code☆16Updated this week
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated 7 months ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated 10 months ago
- QGFN: Controllable Greediness with Action Values - Code☆11May 17, 2024Updated last year
- ☆28Jan 7, 2025Updated last year
- Protein representation and design under a single training scheme☆24Dec 17, 2025Updated last month
- ☆12Jul 24, 2025Updated 6 months ago
- ☆17Dec 5, 2024Updated last year
- [ICLR 2024 Spotlight] Code for the paper "Decision ConvFormer: Local Filtering in MetaFormer is Sufficient for Decision Making"☆12Apr 22, 2024Updated last year
- Official Code for Learning to Sample Effective and Diverse Prompts for Text-to-Image Generation (CVPR 2025)☆13Apr 2, 2025Updated 10 months ago
- ☆14Sep 27, 2024Updated last year
- Official implementation of SketchMol.☆32Feb 14, 2025Updated last year
- ☆11Aug 26, 2024Updated last year
- Lo-Hi: Practical ML Drug Discovery Benchmark paper☆12Nov 13, 2023Updated 2 years ago
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆32May 17, 2024Updated last year
- Code for the paper "Molecule Design by Latent Space Energy-based Modeling and Gradual Distribution Shifting" in UAI 2023☆15Nov 15, 2023Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Feb 20, 2024Updated last year
- Various Ideas for Protein Masked LM with ESMFold/ESM-2☆15Aug 17, 2023Updated 2 years ago
- Reference implementation for SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators (ICML …☆28Aug 23, 2022Updated 3 years ago
- ☆14Mar 16, 2023Updated 2 years ago
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 2 years ago
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Apr 2, 2024Updated last year
- This repository is the official implementation of Bidirectional Learning for Offline Infinite-width Model-based Optimization (NeurIPS 202…☆14Jan 19, 2023Updated 3 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated last year
- ☆44Jul 26, 2024Updated last year
- ☆40Apr 10, 2025Updated 10 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆180Dec 19, 2025Updated last month