Alternatives and similar repositories for graph_level_drug_discovery:

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

• 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
• Bjoux2 / DeepDTIs_DBN
  Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano
  ☆49Updated 5 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 5 years ago
• connorcoley / conv_qsar_fast
  ☆49Updated 7 years ago
• blackmints / 3DGCN
  Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
  ☆55Updated 5 years ago
• Shen-Lab / Drug-Combo-Generator
  Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding
  ☆30Updated last year
• XuanLin1991 / DeepGS
  DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)
  ☆26Updated 4 years ago
• SeongokRyu / augmented-GCN
  ☆58Updated 6 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆95Updated 4 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• fouticus / pipgcn
  Protein Interface Prediction using Graph Convolutional Networks
  ☆92Updated 4 years ago
• Shen-Lab / DeepAffinity
  Protein-compound affinity prediction through unified RNN-CNN
  ☆139Updated 7 months ago
• kevinid / molecule_generator
  Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
  ☆136Updated 6 years ago
• alizat / Chemogenomic-DTI-Prediction-Methods
  Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods
  ☆44Updated 5 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆147Updated 6 years ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆74Updated last year
• FangpingWan / NeoDTI
  NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
  ☆76Updated 3 years ago
• IBM / InterpretableDTIP
  InterpretableDTIP
  ☆19Updated 6 years ago
• NetPharMedGroup / publication_fingerprint
  code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"
  ☆16Updated 2 years ago
• hetong007 / SimBoost
  ☆7Updated 8 years ago
• mufeili / DL4MolecularGraph
  Literature of deep learning for graphs in Chemistry and Biology
  ☆198Updated 4 years ago
• aced125 / AI_in_Drug_Discovery_Progress
  An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery
  ☆43Updated 5 years ago
• Abdulk084 / Smiles2vec
  Proof of the concept implementation of smiles2vec paper
  ☆32Updated 5 years ago
• SeongokRyu / Molecular-GAT
  Molecular-GAT
  ☆21Updated 6 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 6 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆101Updated 2 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆51Updated last year
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 4 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆95Updated 4 years ago
• kexinhuang12345 / CASTER
  CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)
  ☆26Updated 4 years ago