Alternatives and similar repositories for InnerOuterRNN

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

• connorcoley / conv_qsar_fast
  ☆49Updated 8 years ago
• tsudalab / ChemGE
  Population-based De Novo Molecule Generation, Using Grammatical Evolution
  ☆41Updated 4 years ago
• undeadpixel / reinvent-randomized
  Recurrent Neural Network using randomized SMILES strings to generate molecules
  ☆93Updated 6 years ago
• connorcoley / ochem_predict_nn
  ☆113Updated 7 years ago
• samplchallenges / SAMPL7
  Challenge details, inputs, and results for the SAMPL7 series of challenges
  ☆48Updated 4 years ago
• playmolecule / ligdream
  Novel molecules from a reference shape!
  ☆82Updated 2 years ago
• jrwnter / mso
  Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…
  ☆81Updated 4 years ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆62Updated 7 years ago
• Abdulk084 / Smiles2vec
  Proof of the concept implementation of smiles2vec paper
  ☆32Updated 6 years ago
• nyu-dl / conditional-molecular-design-ssvae
  ☆51Updated last year
• aspuru-guzik-group / ORGANIC
  Code repo for optimizing distributions of molecules.
  ☆129Updated 6 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 4 years ago
• john-bradshaw / synthesis-dags
  Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
  ☆47Updated last year
• jensengroup / GB_GA
  Graph-based genetic algorithm
  ☆95Updated 4 years ago
• iwatobipen / playground
  ☆37Updated 2 years ago
• pandegroup / reaction_prediction_seq2seq
  ☆67Updated 6 years ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆78Updated 7 years ago
• keiserlab / keras-neural-graph-fingerprint
  Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
  ☆46Updated 7 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆52Updated 5 years ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆76Updated 3 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆71Updated 4 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 7 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• jensengroup / GB-GM
  Graph-based generative model
  ☆26Updated last month
• czodrowskilab / Machine-learning-meets-pKa
  ☆76Updated 2 years ago
• aspuru-guzik-group / stoned-selfies
  This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…
  ☆132Updated last year
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• connorcoley / rexgen_direct
  Template-free prediction of organic reaction outcomes
  ☆161Updated 6 years ago