GFNOrg / multi-objective-gfnLinks
Code for "Multi-Objective GFlowNets"
☆16Updated 2 years ago
Alternatives and similar repositories for multi-objective-gfn
Users that are interested in multi-objective-gfn are comparing it to the libraries listed below
Sorting:
- ☆30Updated 2 years ago
- This repository is the official implementation of Bidirectional Learning for Offline Infinite-width Model-based Optimization (NeurIPS 202…☆15Updated 2 years ago
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆31Updated last year
- Code for our paper "Unlocking Guidance for Discrete State-Space Diffusion and Flow Models"☆28Updated 4 months ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- Code for "Biological Sequence Design with GFlowNets", 2022☆74Updated 2 years ago
- Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm☆72Updated 2 years ago
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆39Updated last year
- ☆14Updated 2 years ago
- Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"☆16Updated last year
- ☆44Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆22Updated 4 years ago
- ☆18Updated last year
- ☆34Updated last year
- ☆11Updated 5 years ago
- QGFN: Controllable Greediness with Action Values - Code☆10Updated last year
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆30Updated 2 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆21Updated 4 years ago
- ☆219Updated last year
- ☆56Updated 4 years ago
- Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)☆13Updated last year
- ☆33Updated 7 months ago
- Python implementation for Combining Latent Space and Structured Kernels for Bayesian Optimization over Combinatorial Spaces.☆13Updated 3 years ago
- PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"☆37Updated 2 years ago
- Learning energy decompositions for partial inference in GFlowNets☆16Updated last year
- ☆32Updated 3 months ago
- Implementation of methods to sample from Boltzmann distributions☆20Updated 2 years ago
- A library of discrete objectives☆22Updated last month
- Benchmark for Biophysical Sequence Optimization Algorithms☆20Updated 3 months ago