Alternatives and similar repositories for lolbo

Users that are interested in lolbo 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)
  ☆70Updated last year
• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆73Updated 2 years ago
• MachineLearningLifeScience / poli
  A library of discrete objectives
  ☆20Updated 3 weeks 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
• cambridge-mlg / weighted-retraining
  ☆44Updated 2 years ago
• wenhao-gao / mol_opt
  ☆213Updated last year
• vict0rsch / faenet
  ☆34Updated 4 months 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…
  ☆51Updated 2 years ago
• henrymoss / BOSS
  Bayesian Optimisation for String Spaces
  ☆24Updated 3 years ago
• LarsHoldijk / SOCTransitionPaths
  ☆30Updated 2 years ago
• prescient-design / holo-bench
  Benchmark for Biophysical Sequence Optimization Algorithms
  ☆18Updated last month
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆63Updated 4 months ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆49Updated 3 months ago
• GGchen1997 / BDI
  This repository is the official implementation of Bidirectional Learning for Offline Infinite-width Model-based Optimization (NeurIPS 202…
  ☆15Updated 2 years ago
• sungsoo-ahn / genetic-expert-guided-learning
  ☆34Updated 4 years ago
• vgsatorras / en_flows
  ☆60Updated 3 years ago
• andrew-cr / discrete_flow_models
  Code for the paper https://arxiv.org/abs/2402.04997
  ☆78Updated last year
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆90Updated 2 years ago
• jarridrb / DEM
  Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.
  ☆56Updated 2 months ago
• prescient-design / walk-jump
  Official repository for discrete Walk-Jump Sampling (dWJS)
  ☆55Updated last year
• SeulLee05 / MOOD
  Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
  ☆37Updated last year
• ngruver / NOS
  Protein Design with Guided Discrete Diffusion
  ☆131Updated last year
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆131Updated 3 years ago
• gmh14 / data_efficient_grammar
  [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
  ☆95Updated last year
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆108Updated this week
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆38Updated 11 months ago
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆29Updated last year
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• martaskrt / fkc-diffusion
  ☆22Updated last week