An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to bridge the gap between representation learning and generative AI models in drug discovery.
☆42Feb 3, 2026Updated 5 months ago
Alternatives and similar repositories for Ouroboros
Users that are interested in Ouroboros are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆72Jul 20, 2025Updated last year
- ☆24Aug 18, 2025Updated 11 months ago
- PhenoModel: A multimodal phenotypic drug design foundation model for discovering novel potential inhibitors of multiple cancer cells☆15Oct 6, 2025Updated 9 months ago
- A generative AI framework for 3D molecular generation and data-driven molecular design in computational chemistry.☆17Updated this week
- Collection of papers for Molecular Representation using AI☆38Feb 21, 2026Updated 5 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆42Mar 26, 2025Updated last year
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- ☆31Oct 29, 2023Updated 2 years ago
- ☆27Jun 29, 2025Updated last year
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Official implementation of SketchMol.☆34Feb 14, 2025Updated last year
- Synthetic Accessibility via Fragment Assembly Generation☆24Jul 3, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Official repository for the review article "Modeling protein–ligand interactions for drug discovery in the era of deep learning."☆53Jun 23, 2026Updated last month
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 10 months ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆41Jun 6, 2025Updated last year
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆44Sep 25, 2023Updated 2 years ago
- ☆13Oct 9, 2024Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with Mo…☆32May 18, 2026Updated 2 months ago
- Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"☆27Jan 18, 2026Updated 6 months ago
- ☆17May 14, 2022Updated 4 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Modifying Large Language Models for Directed Chemical Space Exploration☆21May 12, 2026Updated 2 months ago
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆61Jun 23, 2026Updated last month
- A universal structure-directed lead optimization☆76Jan 30, 2026Updated 5 months ago
- ☆69Mar 16, 2025Updated last year
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆32May 2, 2026Updated 2 months ago
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆28Feb 24, 2026Updated 5 months ago
- PDD: Awesome Phenotypic Drug Discovery☆41Oct 17, 2025Updated 9 months ago
- Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models☆38Jul 20, 2026Updated last week
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Machine learning accelerated docking screens☆70Jan 20, 2025Updated last year
- A web-based novel drug design platform for up-to-date bioisosteric replacement☆29May 13, 2026Updated 2 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆255Sep 29, 2025Updated 10 months ago
- ☆12Oct 9, 2024Updated last year
- KERMT is a pretrained graph neural network model for molecular property prediction.☆89Jul 17, 2026Updated last week
- ☆20Aug 5, 2025Updated 11 months ago
- ☆40Feb 20, 2026Updated 5 months ago