Alternatives and similar repositories for SBMolGen:

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

• ComputArtCMCG / PLANET
  ☆53Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• karanicolaslab / PROTAC_ternary
  ☆17Updated 2 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆72Updated last year
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆37Updated 11 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…
  ☆23Updated 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…
  ☆43Updated last year
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆48Updated last year
• stonewiseAIDrugDesign / Lingo3DMol
  ☆48Updated last year
• cyangNYU / delta_LinF9_XGB
  ☆14Updated 2 years ago
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆64Updated 3 weeks ago
• jkwang93 / ChemistGA
  ☆23Updated 2 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆70Updated last year
• oxpig / DEVELOP
  ☆56Updated 10 months ago
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆54Updated 2 months ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆16Updated 10 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆40Updated 6 months ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• micahwang / RELATION
  ☆14Updated 2 years ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆53Updated 2 years ago
• durrantlab / autogrow4
  AutoGrow4 is an open-source program for semi-automated computer-aided drug discovery. It uses a genetic algorithm to evolve predicted lig…
  ☆37Updated this week
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆75Updated last year
• mindrank-ai / PharmaBench
  ☆27Updated 9 months ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆37Updated 5 years ago
• sc8668 / GenScore
  ☆31Updated 7 months ago
• durrantlab / gypsum_dl
  Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3…
  ☆47Updated 8 months ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆22Updated last year