Alternatives and similar repositories for vaemols

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

• Hyunseung-Kim / molGCT
  ☆26Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆46Updated 2 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆51Updated 5 years ago
• Ishan-Kumar2 / Molecular_VAE_Pytorch
  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆29Updated 4 years ago
• connorcoley / retrotemp
  Retrosynthesis by template prediction (a la Segler and Waller)
  ☆30Updated 6 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• jensengroup / GB-GM
  Graph-based generative model
  ☆25Updated 6 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆31Updated last year
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 4 years ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆75Updated 6 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• jsschreck / retroRL
  Learning retrosynthetic pathway design using simulated experience
  ☆19Updated 6 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 4 years ago
• bayeslabs / genmol
  Molecular Structure Generation
  ☆30Updated 10 months ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• tsa87 / semi-jtvae
  Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…
  ☆12Updated 2 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆87Updated 2 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆70Updated 4 years ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆39Updated 2 years ago
• rnepal2 / Solubility-Prediction-with-Graph-Neural-Networks
  GNN, GCN, Molecular Solubility, RDKit, Cheminformatics
  ☆43Updated 3 weeks ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆51Updated 6 years ago
• jrwnter / mso
  Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…
  ☆79Updated 4 years ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆21Updated 4 years ago
• NU-CUCIS / CheMixNet
  Mixed DNN Architectures for Predicting Properties using Multiple Molecular Representations
  ☆23Updated 5 years ago
• john-bradshaw / molecule-chef
  Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
  ☆79Updated last year
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• devalab / MoleGuLAR
  Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards
  ☆24Updated last year
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆76Updated last month