Alternatives and similar repositories for Graph_convolutional_NN_molecule_maker:

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

• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 6 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 5 years ago
• futianfan / CORE
  CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)
  ☆16Updated last year
• connorcoley / retrotemp
  Retrosynthesis by template prediction (a la Segler and Waller)
  ☆29Updated 6 years ago
• SeongokRyu / augmented-GCN
  ☆58Updated 6 years ago
• samoturk / mol2vec_notebooks
  Mol2vec notebooks for use with Binder service
  ☆29Updated 6 years ago
• john-bradshaw / molecule-chef
  Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
  ☆77Updated last year
• Dierme / latent-gan
  An implementation of the Latent Gan as discribed in the publication [cite]
  ☆59Updated 3 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆35Updated last year
• NetPharMedGroup / publication_fingerprint
  code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"
  ☆16Updated 2 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• jsschreck / retroRL
  Learning retrosynthetic pathway design using simulated experience
  ☆18Updated 5 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 4 years ago
• YunjaeChoi / vaemols
  Variational Autoencoder for Molecules
  ☆31Updated 6 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 6 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆95Updated 4 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆62Updated 2 years ago
• NU-CUCIS / CheMixNet
  Mixed DNN Architectures for Predicting Properties using Multiple Molecular Representations
  ☆23Updated 5 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆66Updated 3 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆27Updated last year
• gicsaw / ARAE_SMILES
  ☆25Updated 4 years ago
• lhirschfeld / ChempropUncertaintyQuantification
  Message Passing Neural Networks for Molecule Property Prediction
  ☆24Updated 4 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆28Updated 4 years ago
• nyu-dl / dl4chem-geometry
  ☆62Updated 5 years ago
• gscalia / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆11Updated 5 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• msultan / vde_metadynamics
  Enhanced protein mutational sampling using time-lagged variational autoencoders
  ☆29Updated 6 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆69Updated 2 years ago
• PaccMann / paccmann_kinase_binding_residues
  Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…
  ☆36Updated 2 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 7 years ago