MolecularAI / Siamese-RNN-Self-Attention
Contains code for Siamese Recurrent Neural Network with Self-Attention for Bioactivity Prediction
☆10Updated last year
Alternatives and similar repositories for Siamese-RNN-Self-Attention:
Users that are interested in Siamese-RNN-Self-Attention are comparing it to the libraries listed below
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆52Updated 4 years ago
- Molecular Structure Generation☆28Updated 6 months ago
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆27Updated 6 years ago
- Code for training machine learning model for reaction condition prediction☆39Updated 4 years ago
- ☆25Updated last year
- PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆28Updated 3 years ago
- graph generative model for molecule☆39Updated 5 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆46Updated 3 years ago
- Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.☆51Updated last week
- code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"☆16Updated 2 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆23Updated 3 months ago
- ☆45Updated 2 years ago
- MIL for ligand bioactivity prediction☆55Updated 6 months ago
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆76Updated 3 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 6 months ago
- ☆30Updated 5 years ago
- ☆46Updated 5 years ago
- ☆10Updated last week
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆90Updated 5 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆65Updated 3 years ago
- GNN, GCN, Molecular Solubility, RDKit, Cheminformatics☆40Updated 2 years ago
- ☆56Updated last year
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆12Updated 4 months ago
- ☆11Updated 3 years ago
- ☆14Updated 2 years ago
- Code for memory-assisted reinforcement learning☆22Updated 4 years ago
- Synthetic Bayesian Classification☆40Updated 4 years ago
- ☆25Updated 4 years ago
- Molecular vectorization and batch generation☆51Updated 3 years ago