dhbrookes / CbASLinks
Code for the ICML 2019 paper 'Conditioning by adaptive sampling for robust design'
☆37Updated 4 years ago
Alternatives and similar repositories for CbAS
Users that are interested in CbAS are comparing it to the libraries listed below
Sorting:
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆74Updated last year
- Benchmarks for Model-Based Optimization☆97Updated last year
- Code for "Biological Sequence Design with GFlowNets", 2022☆77Updated 2 years ago
- Fitness landscape exploration sandbox for biological sequence design.☆170Updated 2 years ago
- Learning protein structure with a differentiable simulator☆27Updated 6 years ago
- Bayesian Optimisation for String Spaces☆24Updated 4 years ago
- Energy-based models for atomic-resolution protein conformations☆103Updated 3 years ago
- ☆33Updated 3 years ago
- ☆45Updated 3 years ago
- Baselines for Model-Based Optimization☆55Updated 4 years ago
- A library of discrete objectives☆24Updated 4 months ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆139Updated 4 years ago
- End-to-end RNA Design using deep reinforcement learning☆72Updated 3 years ago
- Reinforcement Learning for Molecular Design Guided by Quantum Mechanics☆126Updated 2 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆56Updated 6 years ago
- Data and models (with prediction scripts) used in publications related to Apollo1060 platform☆64Updated last year
- Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925☆279Updated 5 years ago
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆30Updated 2 years ago
- Repository for Autobahn: Automorphism Based Graph Neural Networks☆30Updated 3 years ago
- PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"☆37Updated 2 years ago
- Massively-Parallel Natural Extension of Reference Frame☆33Updated 3 years ago
- ☆28Updated 3 years ago
- ☆81Updated 2 years ago
- PyTorch library of layers acting on protein representations☆119Updated last year
- TLDRs for ML in Drug Discovery papers☆71Updated 2 years ago
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆40Updated 2 years ago
- Bayesian Optimization over Discrete and Mixed Spaces via Probabilistic Reparameterization☆76Updated 3 years ago
- Official release of code for "Oops I Took A Gradient: Scalable Sampling for Discrete Distributions"☆58Updated 2 years ago
- Repository for code and models for the paper "Extrapolative Controlled Sequence Generation via Iterative Refinement"☆16Updated last year
- ☆34Updated 4 years ago