Alternatives and similar repositories for neural_fingerprints_tf

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

• blackmints / 3DGCN
  Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
  ☆54Updated 6 years ago
• ZJULearning / graph_level_drug_discovery
  ☆61Updated 6 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆56Updated 6 years ago
• Bjoux2 / DeepDTIs_DBN
  Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano
  ☆49Updated 6 years ago
• tencent-alchemy / Alchemy
  ☆114Updated last year
• benatorc / PA-Graph-Transformer
  ☆44Updated 2 years ago
• ifding / graph-neural-networks
  Graph Neural Networks for Quantum Chemistry
  ☆127Updated 7 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 7 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆160Updated 7 years ago
• momeara / DeepSEA
  Similarity Ensemble Approach with deep learning substance fingerprints
  ☆61Updated 9 years ago
• wengong-jin / iclr19-graph2graph
  Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
  ☆150Updated 7 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
• kevinid / molecule_generator
  Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
  ☆138Updated 7 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
• alizat / Chemogenomic-DTI-Prediction-Methods
  Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods
  ☆48Updated 6 years ago
• XuhanLiu / NGFP
  PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations
  ☆27Updated 5 years ago
• FangpingWan / NeoDTI
  NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
  ☆77Updated 4 years ago
• brain-research / mpnn
  Open source implementation of "Neural Message Passing for Quantum Chemistry"
  ☆236Updated 8 years ago
• rusty1s / himp-gnn
  Hierarchical Inter-Message Passing for Learning on Molecular Graphs
  ☆81Updated 4 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆104Updated 5 years ago
• DeepGraphLearning / GraphAF
  ☆58Updated 4 years ago
• Luckick / EAGCN
  Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling
  ☆203Updated 4 years ago
• mufeili / DL4MolecularGraph
  Literature of deep learning for graphs in Chemistry and Biology
  ☆202Updated 5 years ago
• longyahui / GCNMDA
  ☆20Updated 4 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• kexinhuang12345 / CASTER
  CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)
  ☆25Updated 5 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆107Updated 3 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago