Sample-efficient Generative Molecular Design using Memory Manipulation
☆90Jun 17, 2026Updated 2 months 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:
- ☆54Aug 7, 2026Updated 3 weeks ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 6 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
- ☆89Jan 11, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 6 months ago
- Code Space of SynLlama☆50Apr 11, 2026Updated 4 months ago
- EPFL CH-457 "AI for chemistry"☆291Apr 3, 2026Updated 5 months ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆39Apr 6, 2026Updated 4 months ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆57Updated this week
- ☆82Feb 17, 2026Updated 6 months ago
- Generative AI for designing easily synthesizable small molecule drugs☆232Apr 27, 2026Updated 4 months ago
- ☆21Dec 5, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 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.☆93Aug 5, 2024Updated 2 years ago
- ☆80Updated this week
- ☆40Feb 20, 2026Updated 6 months ago
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- ☆24Jul 25, 2024Updated 2 years ago
- ANNalog package☆26Aug 27, 2026Updated last week
- A fragment-based molecular assembly toolkit☆52Aug 17, 2026Updated 2 weeks ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆15Apr 30, 2025Updated last year
- ☆64Jun 30, 2025Updated last year
- Mol-Opt: a toolbox for molecular design☆23Apr 15, 2024Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Updated this week
- Multimodal aid for mining of chemical reactions from PDFs☆40Jun 25, 2025Updated last year
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 9 months ago
- Deterministic classification, naming, and analysis of chemical reactions☆56Aug 10, 2026Updated 3 weeks ago
- ☆25Dec 17, 2025Updated 8 months ago
- Open-source tool for synthons-based library design.☆91Jan 8, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A universal structure-directed lead optimization☆79Jan 30, 2026Updated 7 months ago
- ☆15Sep 27, 2024Updated last year
- ☆23Nov 10, 2020Updated 5 years ago
- ☆14Oct 9, 2024Updated last year
- ☆51Oct 8, 2020Updated 5 years ago
- ☆16Sep 30, 2024Updated last year
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆99Aug 25, 2021Updated 5 years ago