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"☆19Jul 12, 2023Updated 2 years ago
- ☆32Oct 7, 2022Updated 3 years ago
- Official implementation of IJCAI'23 paper "MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation"☆14Aug 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
- ☆31Feb 8, 2026Updated 2 months ago
- 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.
- ☆10Aug 22, 2023Updated 2 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 6 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆35Mar 19, 2025Updated last year
- ☆11Jun 16, 2024Updated last year
- Code for "Biological Sequence Design with GFlowNets", 2022☆78Mar 17, 2023Updated 3 years ago
- Our project consists of constructing a comprehensive dataset that contains detailed information about maritime routes used for seaborne t…☆11Apr 12, 2020Updated 6 years ago
- Baselines for Model-Based Optimization installation fixes and compatible with newer AMPERE+ GPUs (e.g. 3090)☆11Apr 30, 2023Updated 2 years ago
- The Project is a prototype for Emergency evacuation and simulations in Indian context. Major focus of this project is nuclear plant, chem…☆11May 24, 2016Updated 9 years ago
- [NeurIPS 2025 Spotlight] Implementation of "KLASS: KL-Guided Fast Inference in Masked Diffusion Models"☆29Jan 3, 2026Updated 3 months ago
- 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.
- ☆17Dec 8, 2023Updated 2 years ago
- ParetoDrug☆10Sep 3, 2024Updated last year
- Benchmark for Biophysical Sequence Optimization Algorithms☆21Updated this week
- A Novel Network-Flow Model for Building Evacuation: Route Choices of Evacuees are Modeled with Herding Effect☆11Sep 6, 2024Updated last year
- ☆15Sep 27, 2024Updated last year
- ☆37Nov 3, 2023Updated 2 years ago
- About Official PyTorch implementation of "Query-Efficient Black-Box Red Teaming via Bayesian Optimization" (ACL'23)☆15Jul 9, 2023Updated 2 years ago
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆23Apr 20, 2020Updated 6 years ago
- ☆13Apr 8, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated last year
- Open-source online virtual screening tools for large databases☆39Mar 11, 2026Updated last month
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- Foundation model-driven lab☆29Mar 25, 2026Updated 3 weeks ago
- A Python wrapper for alvaDesc software☆10Oct 15, 2024Updated last year
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆21Mar 31, 2024Updated 2 years ago
- ☆15Jun 25, 2025Updated 9 months ago
- 这是Evolving Deep Neural Networks by Multi-objective Particle的复现;多目标优化粒子群算法+CNN网络;实现调参。☆13Jun 27, 2022Updated 3 years ago
- ☆17Jan 10, 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.
- ☆55Feb 3, 2022Updated 4 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- Official implementation of NeurIPS'24 paper "Bridge-IF: Learning Inverse Protein Folding with Markov Bridges"☆18Mar 16, 2025Updated last year
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- ☆27Nov 20, 2025Updated 5 months ago
- Official implementation of NeurIPS'22 paper "Monte Carlo Tree Search based Variable Selection for High-Dimensional Bayesian Optimization"☆42Mar 6, 2023Updated 3 years ago
- ☆17Jun 18, 2024Updated last year