Gananath / DrugAILinks
Generation and Classification of Drug Like molecule usings Neural Networks
☆66Updated 6 years ago
Alternatives and similar repositories for DrugAI
Users that are interested in DrugAI are comparing it to the libraries listed below
Sorting:
- ☆53Updated 8 years ago
- A project to enable optimization of molecules by transforming them to and from a continuous representation.☆155Updated 8 years ago
- Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.☆114Updated 2 years ago
- Molecular AutoEncoder in PyTorch☆90Updated 5 years ago
- Protein order and disorder data for Keras, Tensor Flow and Edward frameworks with automated update cycle made for continuous learning app…☆169Updated 2 years ago
- Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne☆34Updated 8 years ago
- Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size☆24Updated 8 years ago
- Similarity Ensemble Approach with deep learning substance fingerprints☆61Updated 8 years ago
- Chemical Property Prediction with Graph Convolutional Networks☆60Updated 5 years ago
- Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015☆46Updated 6 years ago
- ☆31Updated 6 years ago
- A simple web GUI for DeepChem☆59Updated last year
- Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.☆117Updated 2 years ago
- ☆61Updated 6 years ago
- Molecular dynamics trajectory analysis in Tensorflow☆37Updated 7 years ago
- PyTorch library of layers acting on protein representations☆118Updated 11 months ago
- Code repo for optimizing distributions of molecules.☆129Updated 6 years ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago
- Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models☆242Updated 2 years ago
- CapsNet for Protein Post-translational Modification site prediction.☆25Updated 5 years ago
- Molecular-GAT☆21Updated 7 years ago
- Conda build recipe for the rdkit☆50Updated 3 years ago
- ProFET: Protein Feature Engineering Toolkit for Machine Learning☆57Updated 9 years ago
- Novel molecules generation with LSTM☆17Updated 4 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆360Updated 3 years ago
- Recurrent Geometric Network in Pytorch☆28Updated 4 years ago
- A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.☆14Updated 8 years ago
- An experimental repo for experimenting with PyTorch models☆35Updated 2 years ago
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆120Updated 3 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago