Alternatives and similar repositories for MCMG

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

• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆41Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆99Updated 9 months ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆55Updated 3 years ago
• DirectMolecularConfGen / DMCG
  ☆58Updated 2 years ago
• oxpig / DeLinker
  ☆128Updated 2 years ago
• devalab / molgpt
  ☆160Updated 2 years ago
• otori-bird / retrosynthesis
  ☆70Updated last year
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• wangyu-sd / RetroExplainer
  RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …
  ☆76Updated last year
• undeadpixel / reinvent-randomized
  Recurrent Neural Network using randomized SMILES strings to generate molecules
  ☆93Updated 5 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 4 years ago
• wsjeon92 / morld
  ☆28Updated 2 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆105Updated 3 years ago
• coleygroup / Graph2SMILES
  ☆59Updated last year
• MolecularAI / ReinventCommunity
  ☆165Updated 3 years ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆158Updated 2 years ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆188Updated 6 months ago
• THGLab / LP-PDBBind
  ☆50Updated last month
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• Ishan-Kumar2 / Molecular_VAE_Pytorch
  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆30Updated 4 years ago
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆193Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆132Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 5 years ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆141Updated last year
• eyalmazuz / MolGen
  ☆24Updated 2 months ago