henrymoss / BOSS
Bayesian Optimisation for String Spaces
☆24Updated 3 years ago
Alternatives and similar repositories for BOSS:
Users that are interested in BOSS are comparing it to the libraries listed below
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆69Updated 11 months ago
- ☆44Updated 2 years ago
- ☆28Updated 2 years ago
- Python implementation for Combining Latent Space and Structured Kernels for Bayesian Optimization over Combinatorial Spaces.☆13Updated 3 years ago
- This is the code for our paper: Increasing the Scope as You Learn: Adaptive Bayesian Optimization in Nested Subspaces (Leonard Papenmeier…☆16Updated last year
- Bayesian Optimization over Discrete and Mixed Spaces via Probabilistic Reparameterization☆73Updated 2 years ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆73Updated 2 years ago
- Batch Multi-Fidelity Bayesian Optimization with Deep Auto-Regressive Networks☆12Updated 3 years ago
- Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"☆39Updated 4 months ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆51Updated 2 years ago
- Re-Examining Linear Embeddings for High-dimensional Bayesian Optimization☆41Updated 3 years ago
- Bayesian optimization with conformal coverage guarantees☆27Updated 2 years ago
- Repository for Autobahn: Automorphism Based Graph Neural Networks☆29Updated 3 years ago
- Heteroscedastic Bayesian Optimisation in Numpy☆21Updated 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
- Baselines for Model-Based Optimization☆53Updated 3 years ago
- ☆30Updated 2 years ago
- DISCS: The code base for the Benchmark for Discrete Sampling☆54Updated 8 months ago
- Code for "Multi-Objective GFlowNets"☆14Updated last year
- Benchmarks for Model-Based Optimization☆91Updated last year
- Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"☆45Updated 11 months ago
- ☆50Updated 9 months ago
- Code for the ICML 2019 paper 'Conditioning by adaptive sampling for robust design'☆36Updated 3 years ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆49Updated last month
- ☆16Updated last year
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆95Updated last year
- Bayesian Neural Network Surrogates for Bayesian Optimization☆49Updated 11 months ago
- ☆34Updated 2 years ago
- Bayesian MPNNs for Molecular Property Prediction☆27Updated 4 years ago