momeara / DeepSEALinks
Similarity Ensemble Approach with deep learning substance fingerprints
☆61Updated 9 years ago
Alternatives and similar repositories for DeepSEA
Users that are interested in DeepSEA are comparing it to the libraries listed below
Sorting:
- Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne☆34Updated 9 years ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago
- Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015☆46Updated 6 years ago
- A project to enable optimization of molecules by transforming them to and from a continuous representation.☆155Updated 8 years ago
- Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size☆24Updated 9 years ago
- ☆49Updated 8 years ago
- Conda build recipe for the rdkit☆51Updated 3 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- ☆31Updated 7 years ago
- Computes a molecular graph for protein structures.☆58Updated 2 weeks ago
- PyTorch library of layers acting on protein representations☆119Updated last year
- Molecular AutoEncoder in PyTorch☆92Updated 5 years ago
- ☆61Updated 6 years ago
- ☆63Updated 6 years ago
- ☆50Updated last year
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- ☆81Updated 2 years ago
- Chemical Property Prediction with Graph Convolutional Networks☆60Updated 5 years ago
- machine learning, molecular descriptor☆118Updated 2 years ago
- ProFET: Protein Feature Engineering Toolkit for Machine Learning☆58Updated 10 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- Molecular-GAT☆21Updated 7 years ago
- Recurrent Geometric Network in Pytorch☆28Updated 5 years ago
- CapsNet for Protein Post-translational Modification site prediction.☆25Updated 5 years ago
- Protein function prediction using a variational autoencoder☆95Updated 7 years ago
- Ligand-based Virtual Screening using Deep Learning☆16Updated 7 months ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 5 years ago
- A simple web GUI for DeepChem☆62Updated last year
- Paratope Prediction using Deep Learning☆61Updated 2 years ago
- ☆36Updated 6 years ago