Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
☆61Feb 24, 2026Updated 8 months ago
Alternatives and similar repositories for ChemProjector
Users that are interested in ChemProjector are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Sample-efficient Generative Molecular Design using Memory Manipulation☆92Updated this week
- Code Space of SynLlama☆50Apr 11, 2026Updated 6 months ago
- ☆91Jan 11, 2025Updated last year
- ☆17Sep 27, 2024Updated 2 years ago
- A GFlowNet with a chemical synthesis action space.☆135Jan 31, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- C++ data engine for PrexSyn☆11Sep 11, 2026Updated last month
- The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"☆13Mar 26, 2025Updated last year
- ☆103Dec 19, 2022Updated 3 years ago
- ☆65Jun 30, 2025Updated last year
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- JAX translation of BoltzGen☆12Nov 11, 2025Updated 11 months ago
- Official repository for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆36Mar 19, 2025Updated last year
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- 🧬 A Genetic Algorithm for Navigating Synthesizable Molecular Spaces (ICLR 2026)☆16Apr 1, 2026Updated 7 months ago
- 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.
- Generative AI for designing easily synthesizable small molecule drugs☆237Apr 27, 2026Updated 6 months ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆62Updated this week
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- ☆11Jun 18, 2023Updated 3 years ago
- ☆10Jul 30, 2024Updated 2 years ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- ☆17Mar 25, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- Molecular bloom filter tool☆132Mar 23, 2026Updated 7 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.
- ☆13Apr 15, 2024Updated 2 years ago
- Synthesis-oriented molecular design "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆41Oct 14, 2026Updated 2 weeks ago
- ☆15Dec 4, 2023Updated 2 years ago
- ☆13Jul 14, 2025Updated last year
- A fragment-based molecular assembly toolkit☆54Updated this week
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated last year
- ☆32Oct 20, 2026Updated last week
- ☆13Nov 26, 2024Updated last year
- 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.
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- ☆15Apr 4, 2025Updated last year
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆18Sep 13, 2025Updated last year
- ☆14May 15, 2024Updated 2 years ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆18Oct 4, 2021Updated 5 years ago
- AI-augmented R-group exploration in medicinal chemistry☆21Sep 25, 2024Updated 2 years ago