dream-olfaction / olfaction-predictionLinks
Collaborative Phase of DREAM Olfaction Prediction Challenge
☆29Updated 6 years ago
Alternatives and similar repositories for olfaction-prediction
Users that are interested in olfaction-prediction are comparing it to the libraries listed below
Sorting:
- Graph neural networks for molecular design.☆378Updated 2 years ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆475Updated last year
- Benchmarks for generative chemistry☆489Updated last year
- ☆63Updated 3 months ago
- Deep Reinforcement Learning for de-novo Drug Design☆366Updated 4 years ago
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆416Updated 3 years ago
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆940Updated last year
- ☆398Updated 3 years ago
- Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow☆541Updated 2 years ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆542Updated 3 years ago
- Quantum deep field for molecule☆226Updated 4 years ago
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures☆282Updated 3 years ago
- Convolutional nets which can take molecular graphs of arbitrary size as input.☆500Updated 7 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆333Updated 4 years ago
- Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…☆348Updated 2 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆202Updated 5 years ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆815Updated 7 months ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆547Updated 2 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆287Updated 2 years ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆345Updated 4 months ago
- Reinforcement Learning for Molecular Design Guided by Quantum Mechanics☆127Updated 2 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆104Updated 5 years ago
- Python package for graph neural networks in chemistry and biology☆785Updated 2 years ago
- ☆171Updated 3 years ago
- Deep learning for molecules and materials book☆682Updated 2 months ago
- Training neural network potentials☆454Updated this week
- ATOM3D: tasks on molecules in three dimensions☆316Updated 2 years ago
- Moleculenet.ai Datasets And Splits☆105Updated 4 years ago
- ☆146Updated 4 years ago
- Collection of data sets of molecules for a validation of properties inference☆114Updated 7 years ago