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
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- 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"☆22Updated 3 months ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆74Updated 2 years ago
- Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm☆71Updated 2 years ago
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆39Updated last year
- ☆11Updated 5 years ago
- ☆33Updated 5 months ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆29Updated 2 years ago
- QGFN: Controllable Greediness with Action Values - Code☆10Updated last year
- ☆13Updated 2 years ago
- ☆44Updated 2 years ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆20Updated 2 months ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆21Updated 4 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"☆36Updated 2 years ago
- generative model for drug discovery☆63Updated 3 weeks ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆38Updated 4 months ago
- Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)☆13Updated 10 months ago
- Implementation of methods to sample from Boltzmann distributions☆20Updated 2 years ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆57Updated last year
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- ☆29Updated last month
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆13Updated last month
- ☆34Updated last year