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)
  ☆51Updated this week
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆42Updated last year
• wenhao-gao / synformer
  ☆52Updated 9 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆62Updated 4 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆28Updated 11 months ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆37Updated last year
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 3 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated 10 months ago
• juanniwu / t-SMILES
  ☆36Updated 6 months ago
• Augus1999 / bayesian-flow-network-for-chemistry
  ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
  ☆26Updated this week
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆61Updated 3 weeks ago
• aspuru-guzik-group / group-selfies
  ☆69Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆62Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆77Updated last month
• THGLab / LP-PDBBind
  ☆55Updated 2 months ago
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆24Updated 11 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆94Updated 8 months ago
• MolecularAI / SMILES-RL
  ☆19Updated 4 months ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• daenuprobst / molsetrep
  Molecular Set Representation Learning
  ☆49Updated 2 months ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆65Updated 2 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆80Updated 6 months ago
• Genentech / Voxbind
  ☆27Updated last year
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆28Updated last year
• oxpig / ChemIQ
  ☆28Updated 3 months ago
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆77Updated 5 months ago
• guanjq / LinkerNet
  The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
  ☆12Updated last year
• jfjoung / mechanism_prediction
  ☆30Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago