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.
☆38Feb 3, 2026Updated 3 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:
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- Official implementation of SketchMol.☆33Feb 14, 2025Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆69Jul 20, 2025Updated 10 months ago
- Official implementation of "CellFlux: Simulating Cellular Morphology Changes via Flow Matching" (ICML 2025)☆38Sep 3, 2025Updated 8 months ago
- Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning☆42Oct 10, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆43Sep 25, 2023Updated 2 years ago
- Python package for InfoAlign☆13Oct 14, 2024Updated last year
- PyChem-Pro: a molecular viewer, cheminformatics library, molecular descriptor calculator, molecular editor, chemical drawing editor, and …☆165Updated this week
- Automatic R pipeline for FGSEA and classic enrichment (GO, KEGG, Reactome, Hallmark)☆18Oct 30, 2025Updated 6 months ago
- Collection of papers for Molecular Representation using AI☆37Feb 21, 2026Updated 3 months ago
- design pipeline for protein, nucleic acid, and small molecule☆42Mar 5, 2026Updated 2 months ago
- ☆11Oct 14, 2023Updated 2 years ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years 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.
- Baseline model for PPB-Affinity benchmark data☆39May 21, 2025Updated last year
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆64Aug 2, 2025Updated 9 months ago
- POLYGON VAE For de novo Polypharmacology☆42Mar 5, 2025Updated last year
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆56Feb 25, 2026Updated 3 months ago
- ☆24Dec 2, 2024Updated last year
- ☆155Jul 31, 2025Updated 9 months ago
- ☆15Feb 20, 2025Updated last year
- ☆18Oct 14, 2022Updated 3 years ago
- ☆52Mar 24, 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.
- ☆21Dec 22, 2024Updated last year
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- Segmentation of nucleic acid binding interface on protein surface with geometric deep learning☆14May 3, 2023Updated 3 years ago
- ☆16Oct 28, 2024Updated last year
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated last year
- ☆66Mar 14, 2023Updated 3 years ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆52May 19, 2026Updated last week
- ☆23Mar 30, 2023Updated 3 years ago
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆27Apr 28, 2026Updated last month
- 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.
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆59Mar 23, 2026Updated 2 months ago
- A universal structure-directed lead optimization☆75Jan 30, 2026Updated 3 months ago
- Processed Cell Painting Data for the LINCS Drug Repurposing Project☆33Aug 4, 2022Updated 3 years ago
- Transparent Reporting of Ethics for Generative AI (TREGAI) Checklist☆15Oct 16, 2024Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆41Jun 6, 2025Updated 11 months ago
- ☆21Jan 29, 2024Updated 2 years ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆128Oct 24, 2025Updated 7 months ago