Genetic-guided GFlowNets for Sample Efficient Molecular Optimization (NeurIPS 2024)
☆20Nov 14, 2025Updated 8 months ago
Alternatives and similar repositories for genetic_gfn
Users that are interested in genetic_gfn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆31Apr 2, 2025Updated last year
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 4 months ago
- [ICML 2023] Official code for "DevFormer: A Symmetric Transformer for Context-Aware Device Placement"☆23Dec 7, 2024Updated last year
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Apr 25, 2021Updated 5 years ago
- Code for "Multi-Objective GFlowNets"☆20Jul 12, 2023Updated 3 years 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.
- ☆29Nov 5, 2023Updated 2 years ago
- The collection of my research papers' illustrations.☆22Oct 15, 2023Updated 2 years ago
- Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"☆20Dec 24, 2023Updated 2 years ago
- [ICML'24] Tackling Prevalent Conditions in Unsupervised Combinatorial Optimization: Cardinality, Minimum, Covering, and More☆14Jul 12, 2024Updated 2 years ago
- Simple, lightweight package for genetic algorithms on molecules☆69Nov 3, 2024Updated last year
- [AAMAS 2025 Oral] CAMP: Collaborative Attention Model with Profiles for Vehicle Routing Problems☆32Dec 3, 2025Updated 8 months ago
- ☆16Jan 2, 2024Updated 2 years ago
- multi-task learning for routing problem☆24Dec 2, 2025Updated 8 months ago
- ☆14Mar 31, 2026Updated 4 months 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.
- ☆13Jul 15, 2024Updated 2 years ago
- A GFlowNet with a chemical synthesis action space.☆135Jan 31, 2025Updated last year
- Resources for Generalisable Protein Complex Prediction☆20Oct 16, 2024Updated last year
- ☆34Feb 20, 2026Updated 5 months ago
- Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)☆30Jun 9, 2025Updated last year
- Software package for spin dynamics☆14Jul 30, 2026Updated last week
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- ☆25Dec 11, 2022Updated 3 years ago
- Official repository for the TMLR paper "Self-Improvement for Neural Combinatorial Optimization: Sample Without Replacement, but Improveme…☆30Jan 22, 2026Updated 6 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.
- ☆20Mar 3, 2026Updated 5 months ago
- Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)☆20Sep 9, 2024Updated last year
- Official implementation of IJCAI'24 paper "Towards Generalizable Neural Solvers for Vehicle Routing Problems via Ensemble with Transferra…☆25May 15, 2024Updated 2 years ago
- [ICML 25'] Compositional Flows for 3D Molecule and Synthesis Pathway Co-design☆19Dec 1, 2025Updated 8 months ago
- Official codebase for GTA: Generative Trajectory Augmentation with Guidance for Offline Reinforcement Learning.☆32Nov 12, 2024Updated last year
- ☆20Nov 3, 2024Updated last year
- Official repository for GFACS☆37May 17, 2024Updated 2 years ago
- ☆12May 8, 2024Updated 2 years ago
- [NeurIPS 2024] Learning to Handle Complex Constraints for Vehicle Routing Problems☆45Jul 9, 2026Updated last month
- 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.
- GPU-accelerated molecular docking software: Uni-Dock 2☆55Updated this week
- ☆11Jun 16, 2024Updated 2 years ago
- [NeurIPS 2025] PARCO: Parallel AutoRegressive Combinatorial Optimization☆57Dec 3, 2025Updated 8 months ago
- ☆43Jul 26, 2024Updated 2 years ago
- Code for memory-assisted reinforcement learning☆24Oct 19, 2020Updated 5 years ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- python implementation of "Multi-Goal Multi-Agent Pickup and Delivery"☆13May 18, 2023Updated 3 years ago