Sample-efficient Generative Molecular Design using Memory Manipulation
☆90Jun 17, 2026Updated last month
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:
- ☆54Apr 17, 2026Updated 3 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 5 months ago
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆88Jan 11, 2025Updated 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.
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 5 months ago
- Code Space of SynLlama☆50Apr 11, 2026Updated 3 months ago
- EPFL CH-457 "AI for chemistry"☆286Apr 3, 2026Updated 3 months ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 3 months ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆55Updated this week
- ☆78Feb 17, 2026Updated 5 months ago
- Generative AI for designing easily synthesizable small molecule drugs☆228Apr 27, 2026Updated 2 months ago
- ☆20Dec 5, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 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.
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆31Apr 2, 2025Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆90Aug 5, 2024Updated last year
- ☆65Updated this week
- ☆40Feb 20, 2026Updated 5 months ago
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- ☆23Jul 25, 2024Updated 2 years ago
- ANNalog package☆23Jul 12, 2026Updated last week
- A fragment-based molecular assembly toolkit☆52Updated this week
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated 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.
- ☆15Apr 30, 2025Updated last year
- ☆64Jun 30, 2025Updated last year
- Mol-Opt: a toolbox for molecular design☆24Apr 15, 2024Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆34Updated this week
- Multimodal aid for mining of chemical reactions from PDFs☆39Jun 25, 2025Updated last year
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 7 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆56Jul 23, 2025Updated last year
- ☆24Dec 17, 2025Updated 7 months ago
- Open-source tool for synthons-based library design.☆90Jan 8, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A universal structure-directed lead optimization☆76Jan 30, 2026Updated 5 months ago
- ☆15Sep 27, 2024Updated last year
- ☆23Nov 10, 2020Updated 5 years ago
- ☆13Oct 9, 2024Updated last year
- ☆50Oct 8, 2020Updated 5 years ago
- ☆16Sep 30, 2024Updated last year
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆98Aug 25, 2021Updated 4 years ago