Alternatives and similar repositories for 3DGCN

Users that are interested in 3DGCN are comparing it to the libraries listed below

• nyu-dl / dl4chem-mgm
  ☆69Updated 3 years ago
• gicsaw / ARAE_SMILES
  ☆25Updated 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…
  ☆44Updated 6 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆107Updated 3 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 8 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆104Updated 4 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆57Updated 2 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆98Updated 5 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
  ☆78Updated 6 years ago
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆39Updated 3 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆129Updated last year
• SY575 / CMPNN
  ☆77Updated 2 years ago
• chenxiaowei-vincent / XGraphBoost
  ☆58Updated 4 years ago
• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆67Updated 3 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 4 years ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆32Updated 4 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• kamikaze0923 / jtvae
  Junctional Tree Variational Auto-encoder
  ☆26Updated 5 years ago
• smiles724 / Molformer
  ☆96Updated 5 months ago
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆29Updated 4 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• topazape / molecular-VAE
  Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
  ☆47Updated 4 years ago
• pyli0628 / MPG
  ☆47Updated 2 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 6 years ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 4 years ago
• bm2-lab / X-MOL
  ☆37Updated 4 years ago
• XuanLin1991 / DeepGS
  DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)
  ☆26Updated 5 years ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆55Updated 3 years ago