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 3 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 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…
  ☆77Updated 3 years ago
• samplchallenges / SAMPL7
  Challenge details, inputs, and results for the SAMPL7 series of challenges
  ☆46Updated 3 years ago
• pandegroup / reaction_prediction_seq2seq
  ☆66Updated 5 years ago
• undeadpixel / reinvent-randomized
  Recurrent Neural Network using randomized SMILES strings to generate molecules
  ☆92Updated 5 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆65Updated 3 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 7 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆75Updated last year
• choderalab / qmlify
  ☆43Updated 3 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆51Updated 5 years ago
• playmolecule / ligdream
  Novel molecules from a reference shape!
  ☆84Updated last year
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆26Updated 3 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• delton137 / mmltoolkit
  Molecular machine learning toolkit
  ☆26Updated 3 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆32Updated last year
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 4 years ago
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆69Updated last month
• PatWalters / metk
  Model Evaluation Toolkit
  ☆26Updated 5 years ago
• aspuru-guzik-group / stoned-selfies
  This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…
  ☆122Updated 7 months ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆70Updated 2 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• john-bradshaw / synthesis-dags
  Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
  ☆45Updated 10 months ago
• huluxiaohuowa / scaffold_network_generator
  Scaffold Network Generator
  ☆7Updated 5 years ago
• connorcoley / scscore
  ☆95Updated 4 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• jules-leguy / EvoMol
  Evolutionary algorithm for the optimization of molecular properties
  ☆55Updated last month
• PatWalters / TS
  Thompson Sampling
  ☆65Updated 2 months ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago