Alternatives and similar repositories for CbAS

Users that are interested in CbAS are comparing it to the libraries listed below

• samuelstanton / lambo
  Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)
  ☆71Updated last year
• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆74Updated 2 years ago
• brandontrabucco / design-bench
  Benchmarks for Model-Based Optimization
  ☆95Updated last year
• samsinai / FLEXS
  Fitness landscape exploration sandbox for biological sequence design.
  ☆166Updated 2 years ago
• MachineLearningLifeScience / poli
  A library of discrete objectives
  ☆23Updated 2 months ago
• debbiemarkslab / NEMO
  Learning protein structure with a differentiable simulator
  ☆27Updated 6 years ago
• henrymoss / BOSS
  Bayesian Optimisation for String Spaces
  ☆24Updated 3 years ago
• nataliemaus / lolbo
  ☆30Updated 2 years ago
• facebookresearch / protein-ebm
  Energy-based models for atomic-resolution protein conformations
  ☆99Updated 3 years ago
• prescient-design / holo-bench
  Benchmark for Biophysical Sequence Optimization Algorithms
  ☆20Updated 3 months ago
• pascalnotin / uncertainty_guided_optimization
  Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…
  ☆31Updated last year
• HeliXonProtein / proximal-exploration
  PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"
  ☆37Updated 2 years ago
• yobibyte / ml-drug-discovery-tldrs
  TLDRs for ML in Drug Discovery papers
  ☆71Updated 2 years ago
• brandontrabucco / design-baselines
  Baselines for Model-Based Optimization
  ☆53Updated 3 years ago
• EleutherAI / mp_nerf
  Massively-Parallel Natural Extension of Reference Frame
  ☆32Updated 2 years ago
• vishakhpk / iter-extrapolation
  Repository for code and models for the paper "Extrapolative Controlled Sequence Generation via Iterative Refinement"
  ☆16Updated last year
• cambridge-mlg / weighted-retraining
  ☆44Updated 2 years ago
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆135Updated 3 years ago
• genedisco / genedisco
  GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.
  ☆40Updated 2 years ago
• gncs / molgym
  Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
  ☆127Updated 2 years ago
• clarafy / conformal-for-design
  ☆29Updated 2 years ago
• Ryan-Rhys / Constrained-Bayesian-Optimisation-for-Automatic-Chemical-Design
  Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…
  ☆52Updated 2 years ago
• john-bradshaw / synthesis-dags
  Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
  ☆47Updated last year
• Hanjun-Dai / sdvae
  code for Syntax-Directed Variational Autoencoder that generates programs and molecues
  ☆79Updated 7 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆56Updated 5 years ago
• FelixOpolka / pnerf-pytorch
  🔗 PyTorch implementation of the Parallelized Natural Extension Reference Frame algorithm
  ☆19Updated 7 years ago
• wenhao-gao / mol_opt
  ☆219Updated last year
• ElArkk / jax-unirep
  Reimplementation of the UniRep protein featurization model.
  ☆107Updated last year
• 99andBeyond / Apollo1060
  Data and models (with prediction scripts) used in publications related to Apollo1060 platform
  ☆65Updated last year
• facebookresearch / bo_pr
  Bayesian Optimization over Discrete and Mixed Spaces via Probabilistic Reparameterization
  ☆74Updated 2 years ago