Alternatives and similar repositories for DeepGS

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

• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆63Updated 3 years ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆74Updated 2 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
• blackmints / 3DGCN
  Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
  ☆54Updated 6 years ago
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 5 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
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated last month
• kexinhuang12345 / CASTER
  CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)
  ☆25Updated 4 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆53Updated 2 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• devalab / CIGIN
  AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
  ☆35Updated 3 years ago
• dqwei-lab / SPVec
  SPVec: A Word2vec-inspired feature representation method for Drug-Target Interaction Prediction
  ☆19Updated 5 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆96Updated 5 years ago
• ChengF-Lab / deepDTnet
  ☆31Updated 6 years ago
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• BioinfoMachineLearning / DeepInteract
  A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)
  ☆64Updated 3 years ago
• kiharalab / GNN_DOVE
  Code for "Protein Docking Model Evaluation by Graph Neural Networks"
  ☆59Updated 2 years ago
• topazape / molecular-VAE
  Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
  ☆46Updated 4 years ago
• kexinhuang12345 / SkipGNN
  SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)
  ☆64Updated 5 years ago
• Shen-Lab / gcWGAN
  Guided Conditional Wasserstein GAN for De Novo Protein Design
  ☆37Updated 4 years ago
• CSUBioGroup / DeepPPISP
  Protein-protein interaction sites prediction through combining local and global features with deep neural networks
  ☆54Updated 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
• deepchem / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 5 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆102Updated last year
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• bm2-lab / X-MOL
  ☆36Updated 3 years ago