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
  ☆45Updated 3 years ago
• akensert / molgraph
  Graph neural networks for molecular machine learning: Implemented and compatible with TensorFlow and Keras.
  ☆61Updated 4 months ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆23Updated 5 years ago
• bayeslabs / genmol
  Molecular Structure Generation
  ☆33Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 4 years ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆31Updated 3 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆46Updated 5 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated 5 months ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• connorcoley / retrotemp
  Retrosynthesis by template prediction (a la Segler and Waller)
  ☆30Updated 7 years ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆37Updated 5 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 5 years ago
• jensengroup / GB-GM
  Graph-based generative model
  ☆26Updated this week
• NU-CUCIS / CheMixNet
  Mixed DNN Architectures for Predicting Properties using Multiple Molecular Representations
  ☆25Updated 6 years ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆27Updated 4 years ago
• pulimeng / eToxPred
  A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
  ☆51Updated 8 months ago
• itakigawa / pyg_chemprop
  A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.
  ☆24Updated 3 years ago
• PattanaikL / chiral_gnn
  ☆21Updated 3 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 8 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• devalab / MoleGuLAR
  Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards
  ☆24Updated last year
• Ishan-Kumar2 / Molecular_VAE_Pytorch
  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆33Updated 4 years ago
• jules-leguy / EvoMol
  Evolutionary algorithm for the optimization of molecular properties.
  ☆59Updated 7 months ago
• jsschreck / retroRL
  Learning retrosynthetic pathway design using simulated experience
  ☆20Updated 6 years ago
• Dierme / latent-gan
  An implementation of the Latent Gan as discribed in the publication [cite]
  ☆63Updated 4 years ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆49Updated 3 years ago