Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"
☆20Dec 24, 2023Updated 2 years ago
Alternatives and similar repositories for HN-GFN
Users that are interested in HN-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:
- Code for "Multi-Objective GFlowNets"☆20Jul 12, 2023Updated 3 years ago
- ☆32Oct 7, 2022Updated 3 years ago
- Official implementation of IJCAI'23 paper "MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation"☆15Aug 27, 2023Updated 2 years ago
- PyTorch implementation of "TGSA: Protein-Protein Association-Based Twin Graph Neural Networks for Drug Response Prediction with Similarit…☆23Dec 15, 2021Updated 4 years ago
- Genetic-guided GFlowNets for Sample Efficient Molecular Optimization (NeurIPS 2024)☆20Nov 14, 2025Updated 8 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Generates random location of scatterers for a flying UAV and Base Station for generating channel models☆13Aug 4, 2023Updated 3 years ago
- ☆10Aug 22, 2023Updated 2 years ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆78Mar 17, 2023Updated 3 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆36Mar 19, 2025Updated last year
- ☆11Jun 16, 2024Updated 2 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- Baselines for Model-Based Optimization installation fixes and compatible with newer AMPERE+ GPUs (e.g. 3090)☆11Apr 30, 2023Updated 3 years ago
- ☆17Dec 8, 2023Updated 2 years ago
- ParetoDrug☆11Sep 3, 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.
- About Official PyTorch implementation of "Query-Efficient Black-Box Red Teaming via Bayesian Optimization" (ACL'23)☆15Jul 9, 2023Updated 3 years ago
- ☆37Nov 3, 2023Updated 2 years ago
- ☆15Sep 27, 2024Updated last year
- ☆16Feb 7, 2025Updated last year
- Optimizing Tensor Computation Graphs with Equality Saturation and Monte Carlo Tree Search☆15Aug 9, 2024Updated 2 years ago
- ☆13Apr 8, 2025Updated last year
- A script using RDKit to reproduce the BBB score reported by Gupta.☆11Jul 20, 2021Updated 5 years ago
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated 2 years 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.
- A Python wrapper for alvaDesc software☆10Oct 15, 2024Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- ☆15Jun 25, 2025Updated last year
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- ☆17Jan 10, 2024Updated 2 years ago
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- Drug Discovery Intelligence plugin for Claude Code. AI-powered target validation, competitive intelligence, literature analysis & clinic…☆16Jan 4, 2026Updated 7 months ago
- ☆55Feb 3, 2022Updated 4 years ago
- 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.
- Official implementation of NeurIPS'22 paper "Monte Carlo Tree Search based Variable Selection for High-Dimensional Bayesian Optimization"☆44Mar 6, 2023Updated 3 years ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆24Apr 15, 2026Updated 3 months ago
- STBP (Spatio Temporal Back Propagation) implemented on SL-Animals-DVS dataset for training Spiking Neural Networks☆11Jul 15, 2024Updated 2 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Dec 14, 2022Updated 3 years ago
- Neurally-derived Potts models for protein design, inspired by dTERMen☆15Aug 23, 2022Updated 3 years ago
- UPDATE: All future changes will be pushed to https://github.com/HICAI-ZJU/PromptProtein☆15Apr 23, 2023Updated 3 years ago
- CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)☆17Jul 17, 2023Updated 3 years ago