Alternatives and similar repositories for LAIDD-molecular-generation

Users that are interested in LAIDD-molecular-generation are comparing it to the libraries listed below

• ACE-KAIST / PIGNet
  PIGNet source code
  ☆53Updated 3 years ago
• lhm30 / PIDGINv2
  PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
  ☆31Updated 6 years ago
• pfizer-opensource / pfabnet-viscosity
  ☆15Updated 2 years ago
• fwangccnu / ACID
  Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…
  ☆13Updated 6 years ago
• wsjeon92 / FP2VEC
  ☆17Updated 5 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆19Updated 3 years ago
• yifang000 / QADD
  De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment
  ☆14Updated 2 years ago
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆22Updated 2 months ago
• heartcored98 / CH485_AI_Chemistry
  This repository includes weekly reports submitted as in-class assignment of 2018 CH485
  ☆10Updated 6 years ago
• jaechanglim / DTI_PDBbind
  ☆33Updated 3 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆23Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆39Updated 4 years ago
• zengtsysu / BioNavi
  ☆12Updated 4 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• emarcos / immunoglobulin_design
  ☆10Updated 3 years ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆35Updated 2 years ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 3 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 5 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• UnixJunkie / smi2sdf3d
  3D diverse conformers generation using rdkit
  ☆23Updated 3 years ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆76Updated last year
• wsjeon92 / morld
  ☆28Updated 2 years ago