Shen-Lab / LOIS

Related projects ⓘ

Alternatives and complementary repositories for LOIS

• GFNOrg / multi-objective-gfn
  Code for "Multi-Objective GFlowNets"
  ☆10Updated last year
• violet-sto / HN-GFN
  Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"
  ☆14Updated 10 months ago
• brandontrabucco / design-baselines
  Baselines for Model-Based Optimization
  ☆50Updated 2 years ago
• lucidrains / triangle-multiplicative-module
  Implementation of the Triangle Multiplicative module, used in Alphafold2 as an efficient way to mix rows or columns of a 2d feature map, …
  ☆29Updated 3 years ago
• henrymoss / BOSS
  Bayesian Optimisation for String Spaces
  ☆24Updated 3 years ago
• binghong-ml / MolEvol
  Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"
  ☆28Updated 3 years ago
• risilab / Autobahn
  Repository for Autobahn: Automorphism Based Graph Neural Networks
  ☆29Updated 2 years ago
• j-wilson / MaximizingAcquisitionFunctions
  Code for "Maximizing Acquisition Functions for Bayesian Optimization"
  ☆12Updated 5 years ago
• prescient-design / holo-bench
  Benchmark for Biophysical Sequence Optimization Algorithms
  ☆12Updated 3 weeks ago
• cambridge-mlg / weighted-retraining
  ☆42Updated 2 years ago
• nataliemaus / lolbo
  ☆25Updated 2 years ago
• amorehead / awesome-equivariant-network
  Paper list for equivariant neural network
  ☆10Updated 2 years ago
• GGchen1997 / BDI
  This repository is the official implementation of Bidirectional Learning for Offline Infinite-width Model-based Optimization (NeurIPS 202…
  ☆12Updated last year
• gbouritsas / PnC
  Official repository for the paper "Partition and Code: learning how to compress graphs" (NeurIPS'21) https://arxiv.org/abs/2107.01952
  ☆32Updated 3 years ago
• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆72Updated last year
• brandontrabucco / design-bench
  Benchmarks for Model-Based Optimization
  ☆80Updated 6 months ago
• samuelstanton / lambo
  Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)
  ☆64Updated 5 months ago
• nkeriven / random-graph-gnn
  ☆12Updated 3 years ago
• futianfan / reinforced-genetic-algorithm
  Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm
  ☆68Updated last year
• clarafy / conformal-for-design
  ☆29Updated 2 years ago
• lucidrains / geometric-vector-perceptron
  Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…
  ☆72Updated 3 years ago
• Vincentx15 / atom2D
  ☆12Updated 7 months ago
• aryandeshwal / LADDER
  Python implementation for Combining Latent Space and Structured Kernels for Bayesian Optimization over Combinatorial Spaces.
  ☆13Updated 2 years ago
• Rose-STL-Lab / Multi-Fidelity-Deep-Active-Learning
  ☆14Updated last year
• samuelstanton / conformal-bayesopt
  Bayesian optimization with conformal coverage guarantees
  ☆26Updated 2 years ago
• ruchtem / cosmos
  This is the official implementation for COSMOS: a method to learn Pareto fronts that scales to large datasets and deep models.
  ☆37Updated 3 years ago
• WayneDW / Contour-Stochastic-Gradient-Langevin-Dynamics
  An elegant adaptive importance sampling algorithms for simulations of multi-modal distributions (NeurIPS'20)
  ☆39Updated 2 years ago
• hanjq17 / GMN
  [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
  ☆58Updated 4 months ago
• andrew-cr / jump-diffusion
  ☆32Updated 4 months ago