Alternatives and similar repositories for SBMolGen:

Users that are interested in SBMolGen are comparing it to the libraries listed below

• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• oxpig / DEVELOP
  ☆55Updated last year
• fimrie / DeepCoy
  ☆28Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated 10 months ago
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆24Updated last year
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆48Updated last year
• Xundrug / AA-Score-Tool
  a tool for protein-ligand binding affinity prediction
  ☆36Updated 2 years ago
• ComputArtCMCG / PLANET
  ☆58Updated last year
• karanicolaslab / PROTAC_ternary
  ☆18Updated 2 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆77Updated last year
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• micahwang / RELATION
  ☆16Updated 2 years ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• coleygroup / del_qsar
  ☆30Updated 2 years ago
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆18Updated 3 months ago
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆23Updated 11 months ago
• jp43 / DockBox
  Python package to facilitate the use of popular docking software
  ☆16Updated last year
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆17Updated last year
• mindrank-ai / PharmaBench
  ☆37Updated last year
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆79Updated 3 months ago
• kotori-y / Scopy
  An integrated negative design python library for desirable HTS/VS database design
  ☆45Updated 2 years ago