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
  ☆65Updated last month
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆34Updated 9 months ago
• THGLab / LP-PDBBind
  ☆58Updated 5 months ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆83Updated 3 weeks ago
• youqingxiaozhua / DeepTernary
  ☆41Updated last month
• meyresearch / SILVR
  ☆37Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆51Updated 3 years ago
• yydiao1025 / MacFrag
  ☆29Updated 2 years ago
• DevSlem / Mol-AIR
  Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.
  ☆25Updated 3 weeks ago
• wenhao-gao / synformer
  ☆70Updated 11 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆57Updated last week
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆70Updated last year
• MolecularAI / Lib-INVENT
  ☆61Updated 2 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆39Updated 2 years ago
• iipharma / transpharmer-repo
  ☆41Updated 9 months ago
• ashipiling / GPT_3DSMILES
  ☆31Updated 4 months ago
• WangZiXubiubiu / SketchMol-v1
  Official implementation of SketchMol.
  ☆31Updated 10 months ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆35Updated 3 years ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆29Updated 9 months ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• jule-c / flowr
  ☆56Updated 3 weeks ago
• oxpig / DEVELOP
  ☆56Updated last year
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆35Updated last year
• oxpig / MolSnapper
  ☆53Updated 7 months ago