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.
  ☆24Updated 7 months ago
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆51Updated 3 weeks ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆66Updated last month
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆42Updated this week
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated 11 months ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆31Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆53Updated 2 months ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated 11 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• ashipiling / GPT_3DSMILES
  ☆25Updated 5 months ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated last year
• juanniwu / t-SMILES
  ☆33Updated last month
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆20Updated 4 years ago
• MarieOestreich / DrugDiff
  ☆38Updated 2 months ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆31Updated last year
• wenhao-gao / synformer
  ☆45Updated 4 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆26Updated 2 years ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆35Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• molML / traversing_chem_space
  ☆22Updated 9 months ago