Alternatives and similar repositories for DeepSEA

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

• keiserlab / keras-neural-graph-fingerprint
  Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
  ☆46Updated 6 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• debbiemarkslab / neural-fingerprint-theano
  Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne
  ☆34Updated 9 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• GUR9000 / KerasNeuralFingerprint
  Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size
  ☆24Updated 9 years ago
• ZJULearning / graph_level_drug_discovery
  ☆61Updated 6 years ago
• yangkevin2 / coronavirus_data
  ☆81Updated 2 years ago
• HIPS / molecule-autoencoder
  A project to enable optimization of molecules by transforming them to and from a continuous representation.
  ☆155Updated 8 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 8 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆36Updated 2 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• cxhernandez / molencoder
  Molecular AutoEncoder in PyTorch
  ☆92Updated 5 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated last week
• conradry / pytorch-rgn
  Recurrent Geometric Network in Pytorch
  ☆28Updated 5 years ago
• gadsbyfly / PyBioMed
  machine learning, molecular descriptor
  ☆119Updated 2 years ago
• nyu-dl / conditional-molecular-design-ssvae
  ☆50Updated last year
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 5 years ago
• emmijokinen / mgpfusion
  mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…
  ☆15Updated 7 years ago
• samsinai / VAE_protein_function
  Protein function prediction using a variational autoencoder
  ☆95Updated 7 years ago
• duolinwang / CapsNet_PTM
  CapsNet for Protein Post-translational Modification site prediction.
  ☆25Updated 6 years ago
• deepchem / deepchem-gui
  A simple web GUI for DeepChem
  ☆62Updated 2 years ago
• yfCuiFaith / DeepCSeqSite
  Protein-ligand binding sites prediction toolkits
  ☆21Updated 6 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆65Updated 5 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 3 years ago
• undeadpixel / reinvent-gdb13
  A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
  ☆30Updated 6 years ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆78Updated 6 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆159Updated 7 years ago