Alternatives and similar repositories for keras-neural-graph-fingerprint

Users that are interested in keras-neural-graph-fingerprint are comparing it to the libraries listed below

• GUR9000 / KerasNeuralFingerprint
  Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size
  ☆24Updated 8 years ago
• momeara / DeepSEA
  Similarity Ensemble Approach with deep learning substance fingerprints
  ☆61Updated 9 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 8 years ago
• debbiemarkslab / neural-fingerprint-theano
  Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne
  ☆34Updated 8 years ago
• Chemoinformatics / InnerOuterRNN
  Inner- and Outer Recursive Neural Networks for Chemoinformatics
  ☆32Updated 4 years ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• tsudalab / ChemGE
  Population-based De Novo Molecule Generation, Using Grammatical Evolution
  ☆41Updated 4 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆65Updated 5 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆37Updated last week
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• rdkit / CheTo
  CheTo - Chemical Topic Modeling
  ☆32Updated 4 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆36Updated 2 years ago
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated last week
• deepchem / deepchem-gui
  A simple web GUI for DeepChem
  ☆62Updated last year
• cxhernandez / molencoder
  Molecular AutoEncoder in PyTorch
  ☆90Updated 5 years ago
• connorcoley / ochem_predict_nn
  ☆113Updated 7 years ago
• samplchallenges / SAMPL7
  Challenge details, inputs, and results for the SAMPL7 series of challenges
  ☆47Updated 3 years ago
• SYSU-RCDD / QBMG
  QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network
  ☆19Updated 6 years ago
• undeadpixel / reinvent-gdb13
  A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
  ☆30Updated 6 years ago
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• bioinf-jku / FCD
  Fréchet ChemNet Distance: A quality measure for generative models for molecules
  ☆85Updated last year
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆26Updated 4 years ago