Alternatives and similar repositories for interpretable_ml_drug_discovery

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

• ZJULearning / graph_level_drug_discovery
  ☆61Updated 6 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 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
• blackmints / 3DGCN
  Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
  ☆54Updated 6 years ago
• yangkevin2 / coronavirus_data
  ☆81Updated last year
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 5 years ago
• simonfqy / PADME
  This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…
  ☆43Updated 6 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆54Updated 2 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆96Updated 5 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆63Updated 3 years ago
• malllabiisc / ProteinGCN
  ProteinGCN: Protein model quality assessment using Graph Convolutional Networks
  ☆119Updated last year
• XuhanLiu / NGFP
  PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations
  ☆27Updated 5 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 8 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆101Updated 4 years ago
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• topazape / molecular-VAE
  Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
  ☆46Updated 4 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆56Updated 5 years ago
• futianfan / CORE
  CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)
  ☆17Updated 2 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆29Updated 4 years ago
• devalab / CIGIN
  AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
  ☆35Updated 3 years ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆77Updated 6 years ago
• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆67Updated 2 years ago
• Bjoux2 / DeepDTIs_DBN
  Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano
  ☆49Updated 6 years ago
• fouticus / pipgcn
  Protein Interface Prediction using Graph Convolutional Networks
  ☆93Updated 4 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
• flawnson / Graph_convolutional_NN_molecule_maker
  A Graph Neural Network (Geometric machine learning) for molecular generation
  ☆21Updated 6 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆107Updated 3 years ago