Alternatives and similar repositories for SMILES-RL

Users that are interested in SMILES-RL are comparing it to the libraries listed below

• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆29Updated last year
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆45Updated last year
• oxpig / DEVELOP
  ☆57Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆31Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆51Updated 3 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆76Updated 3 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆34Updated 10 months ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆39Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• wenhao-gao / SynNet
  ☆95Updated 3 years ago
• haoteli / MOSAIC
  Multiple Optimized Specialists for AI-Driven Chemical Predictions
  ☆49Updated last week
• THGLab / SynLlama
  Code Space of SynLlama
  ☆42Updated last month
• juanniwu / t-SMILES
  ☆39Updated 9 months ago
• batistagroup / ChemSpaceAL
  ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation
  ☆22Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆67Updated 3 months ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆41Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆35Updated 3 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated 2 years ago
• aivant / ShapeLinker
  ☆25Updated 2 months ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆86Updated last week
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆32Updated 4 years ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆23Updated 5 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 5 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆70Updated 7 months ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago