Alternatives and similar repositories for t-SMILES:

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

• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆49Updated 2 weeks ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025]
  ☆54Updated 2 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆52Updated 2 years ago
• qiangbo1222 / Uni-RXN-official
  ☆26Updated 11 months ago
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆30Updated last week
• THGLab / LP-PDBBind
  ☆38Updated last year
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆32Updated last year
• OdinZhang / SDEGen
  ☆22Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆41Updated 9 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆38Updated 3 weeks ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• jostorge / diffusion-hopping
  DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping
  ☆32Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆61Updated 3 months ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆39Updated 11 months ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• meyresearch / SILVR
  ☆37Updated 10 months ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆31Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆85Updated 4 months ago
• MolecularAI / SMILES-RL
  ☆18Updated 3 months ago
• iipharma / transpharmer-repo
  ☆27Updated 9 months ago
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆39Updated last month
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• grzsko / ASAP
  ☆13Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆54Updated last year
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆44Updated 3 months ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆47Updated this week