Sample-efficient Generative Molecular Design using Memory Manipulation
☆89Jun 17, 2026Updated 2 weeks ago
Alternatives and similar repositories for saturn
Users that are interested in saturn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 4 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆62Jun 30, 2025Updated last year
- ☆12Oct 9, 2024Updated last year
- Generative AI for designing easily synthesizable small molecule drugs☆225Apr 27, 2026Updated 2 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.
- ☆23Nov 10, 2020Updated 5 years ago
- ☆16Sep 16, 2025Updated 9 months ago
- ☆23Jul 25, 2024Updated last year
- Open-source tool for synthons-based library design.☆89Jan 8, 2025Updated last year
- ☆60May 9, 2025Updated last year
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 2 months ago
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- ☆24Dec 17, 2025Updated 6 months ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆97Aug 25, 2021Updated 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆31Apr 2, 2025Updated last year
- Python package for the ASKCOS platform for prediction of chemical reactivity☆25Feb 24, 2022Updated 4 years ago
- ☆88Jan 11, 2025Updated last year
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 6 months ago
- Thompson Sampling☆81May 7, 2025Updated last year
- ☆13Oct 9, 2024Updated last year
- ☆20Dec 5, 2024Updated last year
- EPFL CH-457 "AI for chemistry"☆282Apr 3, 2026Updated 3 months ago
- ☆26Jul 30, 2025Updated 11 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆42Mar 26, 2025Updated last year
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- Tools to train synthesis prediction models☆30Feb 11, 2026Updated 4 months ago
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆15Mar 17, 2025Updated last year
- ☆54Apr 17, 2026Updated 2 months ago
- ☆20Aug 5, 2025Updated 11 months ago
- Open-source protein-based pharmacophore modeling software☆40Feb 15, 2025Updated last year
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 7 months ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years 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.
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- ☆18Apr 30, 2021Updated 5 years ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆138Sep 3, 2025Updated 10 months ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆51Sep 3, 2020Updated 5 years ago
- ☆17Mar 25, 2025Updated last year
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆87Aug 5, 2024Updated last year