Alternatives and similar repositories for SketchMol-v1

Users that are interested in SketchMol-v1 are comparing it to the libraries listed below

• iipharma / transpharmer-repo
  ☆41Updated 9 months ago
• juanniwu / t-SMILES
  ☆39Updated 9 months ago
• DevSlem / Mol-AIR
  Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.
  ☆26Updated last month
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆104Updated last year
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆46Updated 7 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆30Updated 9 months ago
• yydiao1025 / Macformer
  ☆40Updated 2 years ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆29Updated last year
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆29Updated 6 months ago
• bytedance / DecompOpt
  ☆16Updated last year
• youqingxiaozhua / DeepTernary
  ☆41Updated last month
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• BioinfoMachineLearning / GCDM-SBDD
  A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)
  ☆23Updated last year
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆65Updated last year
• molML / RUSH
  Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…
  ☆19Updated 11 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated last year
• QiaoyuHu89 / DiffGui
  ☆59Updated 2 months ago
• BioChemAI / DeepBlock
  This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…
  ☆20Updated last year
• guaguabujianle / GIGN
  ☆48Updated 2 years ago
• jiaxianyan / DeltaDock
  ☆27Updated last year
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆38Updated 7 months ago
• ninglab / DiffSMol
  ☆42Updated 6 months ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆65Updated 2 months ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆58Updated 2 weeks ago
• yydiao1025 / MacFrag
  ☆29Updated 2 years ago
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆65Updated 9 months ago