A GFlowNet with a chemical synthesis action space.
☆135Jan 31, 2025Updated last year
Alternatives and similar repositories for synflownet
Users that are interested in synflownet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 3 months ago
- ☆68Jun 27, 2025Updated last year
- ☆88Jan 11, 2025Updated last year
- GFlowNet library specialized for graph & molecular data☆292May 21, 2026Updated 2 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 5 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.
- Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)☆30Jun 9, 2025Updated last year
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 3 months ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆18Sep 13, 2025Updated 10 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design☆21May 31, 2026Updated last month
- ☆16Feb 20, 2026Updated 5 months ago
- A Fast, Simplified Model for Molecular Generation with Improved Physical Quality☆28Oct 1, 2025Updated 9 months ago
- DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping☆37Oct 2, 2023Updated 2 years ago
- 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.
- ☆138Jul 14, 2026Updated last week
- QGFN: Controllable Greediness with Action Values - Code☆11May 17, 2024Updated 2 years ago
- Generative AI for designing easily synthesizable small molecule drugs☆228Apr 27, 2026Updated 2 months ago
- A lightweight, fast pocket finder in Python.☆92Updated this week
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆32Apr 25, 2025Updated last year
- ☆17Jul 30, 2024Updated last year
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- ☆16Sep 30, 2024Updated last year
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 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.
- ReaSyn is a model for predicting a molecule's synthesis pathway, reaction steps from building blocks to final product(s), using an encode…☆106Jul 18, 2026Updated last week
- ☆20May 25, 2026Updated last month
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆822Jun 22, 2026Updated last month
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆55Updated this week
- ☆39Jun 30, 2024Updated 2 years ago
- ☆57Jan 15, 2026Updated 6 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆71Nov 6, 2025Updated 8 months ago
- Code Space of SynLlama☆50Apr 11, 2026Updated 3 months ago
- ☆80Dec 15, 2025Updated 7 months 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.
- Thompson Sampling☆81May 7, 2025Updated last year
- Open-source tool for synthons-based library design.☆90Jan 8, 2025Updated last year
- Molecular Out-Of-Distribution☆41Apr 16, 2025Updated last year
- [ICML 25'] Compositional Flows for 3D Molecule and Synthesis Pathway Co-design☆19Dec 1, 2025Updated 7 months ago
- Genetic-guided GFlowNets for Sample Efficient Molecular Optimization (NeurIPS 2024)☆20Nov 14, 2025Updated 8 months ago
- ☆60May 9, 2025Updated last year
- Sample-efficient Generative Molecular Design using Memory Manipulation☆90Jun 17, 2026Updated last month