Alternatives and similar repositories for steer

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

• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated 3 weeks ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆57Updated last month
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆36Updated last year
• juanniwu / t-SMILES
  ☆34Updated 3 months ago
• wenhao-gao / synformer
  ☆47Updated 6 months ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated last year
• Augus1999 / bayesian-flow-network-for-chemistry
  ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
  ☆25Updated this week
• MarieOestreich / DrugDiff
  ☆40Updated 3 months ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆32Updated last year
• THGLab / LP-PDBBind
  ☆44Updated last year
• daenuprobst / molsetrep
  Molecular Set Representation Learning
  ☆48Updated last week
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 8 months ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆72Updated last week
• aspuru-guzik-group / group-selfies
  ☆63Updated 2 years ago
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆23Updated 8 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• grzsko / ASAP
  ☆14Updated 2 years ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆76Updated 5 months ago
• jfjoung / mechanism_prediction
  ☆27Updated 11 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆76Updated 2 months ago
• coleygroup / DiffMS
  ☆79Updated last week
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆37Updated 11 months ago
• juexinwang / NRI-MD
  Neural relational inference for molecular dynamics simulations
  ☆57Updated 2 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆60Updated 4 months ago
• coleygroup / Graph2SMILES
  ☆59Updated last year
• MolecularAI / SMILES-RL
  ☆19Updated 2 months ago
• Genentech / Voxbind
  ☆24Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago