momeara / DeepSEALinks
Similarity Ensemble Approach with deep learning substance fingerprints
☆61Updated 8 years ago
Alternatives and similar repositories for DeepSEA
Users that are interested in DeepSEA are comparing it to the libraries listed below
Sorting:
- Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size☆24Updated 8 years ago
- Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne☆34Updated 8 years ago
- Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015☆46Updated 6 years ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- ☆49Updated 7 years ago
- ☆63Updated 6 years ago
- ☆61Updated 6 years ago
- ☆31Updated 6 years ago
- ☆81Updated last year
- Molecular-GAT☆21Updated 7 years ago
- ☆50Updated last year
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆30Updated 2 years ago
- Chemical Property Prediction with Graph Convolutional Networks☆60Updated 5 years ago
- Computes a molecular graph for protein structures.☆58Updated 2 weeks ago
- machine learning, molecular descriptor☆115Updated 2 years ago
- Conda build recipe for the rdkit☆50Updated 3 years ago
- ProtVec can be used in protein interaction predictions, structure prediction, and protein data visualization.☆33Updated 2 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 4 years ago
- Molecular AutoEncoder in PyTorch☆90Updated 5 years ago
- Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano☆47Updated 6 years ago
- PyTorch library of layers acting on protein representations☆118Updated 11 months ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆153Updated 6 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆79Updated last year
- Deep-learning models for Drug Discovery and Quantum Chemistry☆27Updated 7 years ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Updated 4 years ago
- Ligand-based Virtual Screening using Deep Learning☆16Updated 3 months ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 4 years ago