Alternatives and similar repositories for molecule_generator

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

• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆156Updated 6 years ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆159Updated 3 years ago
• connorcoley / rexgen_direct
  Template-free prediction of organic reaction outcomes
  ☆159Updated 5 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆107Updated 3 years ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆78Updated 6 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• aspuru-guzik-group / ORGANIC
  Code repo for optimizing distributions of molecules.
  ☆126Updated 6 years ago
• mufeili / DL4MolecularGraph
  Literature of deep learning for graphs in Chemistry and Biology
  ☆201Updated 4 years ago
• playmolecule / ligdream
  Novel molecules from a reference shape!
  ☆83Updated last year
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆143Updated last year
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 4 years ago
• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆133Updated 2 years ago
• undeadpixel / reinvent-randomized
  Recurrent Neural Network using randomized SMILES strings to generate molecules
  ☆93Updated 5 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 8 years ago
• connorcoley / retrosim
  ☆85Updated 7 years ago
• john-bradshaw / molecule-chef
  Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
  ☆79Updated 2 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆101Updated 4 years ago
• connorcoley / rdchiral
  Wrapper for RDKit's RunReactants to improve stereochemistry handling
  ☆173Updated 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
• 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
• connorcoley / ochem_predict_nn
  ☆113Updated 7 years ago
• oxpig / DeLinker
  ☆131Updated 2 years ago
• MarcusOlivecrona / REINVENT
  Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
  ☆329Updated 4 years ago
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆82Updated 5 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 3 years ago
• EBjerrum / SMILES-enumeration
  SMILES enumeration for QSAR modelling using LSTM recurrent neural networks
  ☆246Updated 3 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆97Updated 5 years ago
• pcko1 / Deep-Drug-Coder
  A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…
  ☆188Updated 2 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 6 years ago