Alternatives and similar repositories for DeepSEA:

Users that are interested in DeepSEA 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
• debbiemarkslab / neural-fingerprint-theano
  Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne
  ☆34Updated 8 years ago
• keiserlab / keras-neural-graph-fingerprint
  Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
  ☆46Updated 6 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• yangkevin2 / coronavirus_data
  ☆81Updated last year
• connorcoley / conv_qsar_fast
  ☆49Updated 7 years ago
• cxhernandez / molencoder
  Molecular AutoEncoder in PyTorch
  ☆90Updated 4 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 6 years ago
• nyu-dl / dl4chem-geometry
  ☆62Updated 5 years ago
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated this week
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆35Updated 2 years ago
• ZJULearning / graph_level_drug_discovery
  ☆61Updated 6 years ago
• XuanLin1991 / DeepGS
  DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)
  ☆26Updated 4 years ago
• SeongokRyu / Molecular-GAT
  Molecular-GAT
  ☆21Updated 6 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• Shen-Lab / Drug-Combo-Generator
  Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding
  ☆30Updated 2 years ago
• gadsbyfly / PyBioMed
  machine learning, molecular descriptor
  ☆113Updated 2 years ago
• aqlaboratory / pnerf
  ☆35Updated 5 years ago
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆52Updated 4 years ago
• conradry / pytorch-rgn
  Recurrent Geometric Network in Pytorch
  ☆29Updated 4 years ago
• Shen-Lab / DeepAffinity
  Protein-compound affinity prediction through unified RNN-CNN
  ☆143Updated 9 months ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆149Updated 6 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆27Updated 7 years ago
• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆66Updated 2 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆49Updated 2 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
• simonfqy / PADME
  This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…
  ☆42Updated 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 6 years ago