Alternatives and similar repositories for InnerOuterRNN

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

• tsudalab / ChemGE
  Population-based De Novo Molecule Generation, Using Grammatical Evolution
  ☆41Updated 4 years ago
• samplchallenges / SAMPL7
  Challenge details, inputs, and results for the SAMPL7 series of challenges
  ☆46Updated 3 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 7 years ago
• jensengroup / GB-GM
  Graph-based generative model
  ☆24Updated 6 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆42Updated 5 years ago
• huluxiaohuowa / scaffold_network_generator
  Scaffold Network Generator
  ☆7Updated 5 years ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆58Updated 6 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆26Updated 3 years ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 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
• czodrowskilab / Machine-learning-meets-pKa
  ☆74Updated last year
• rdkit / rdkit-orig
  Older clone of the RDKit subversion repository at http://sourceforge.net/projects/rdkit/
  ☆23Updated 6 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆43Updated 4 years ago
• PatWalters / yamc
  Yet another ML method comparison
  ☆16Updated 2 years ago
• NREL / nfp
  Keras layers for end-to-end learning with rdkit and pymatgen
  ☆60Updated last year
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• renzph / generative-models-for-molecules
  Overview of published generative models that produce molecules
  ☆15Updated 5 years ago
• choderalab / qmlify
  ☆43Updated 3 years ago
• undeadpixel / reinvent-randomized
  Recurrent Neural Network using randomized SMILES strings to generate molecules
  ☆92Updated 5 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆31Updated last year
• keiserlab / e3fp-paper
  3D molecular fingerprints (E3FP) paper repo
  ☆15Updated 4 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• delton137 / mmltoolkit
  Molecular machine learning toolkit
  ☆27Updated 3 years ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆60Updated 2 months ago
• PatWalters / kmeans
  K-means clustering
  ☆22Updated 3 years ago
• duaibeom-zz / MolFinder
  ☆17Updated 4 years ago
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆35Updated last year
• connorcoley / retrotemp
  Retrosynthesis by template prediction (a la Segler and Waller)
  ☆29Updated 6 years ago
• docking-org / ChemInfTools
  A collection of small scripts and utilities that would otherwise float around in other repositories
  ☆15Updated 2 months ago