NU-CUCIS / CheMixNetLinks
Mixed DNN Architectures for Predicting Properties using Multiple Molecular Representations
☆23Updated 5 years ago
Alternatives and similar repositories for CheMixNet
Users that are interested in CheMixNet are comparing it to the libraries listed below
Sorting:
- Synthetic Bayesian Classification☆44Updated 4 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Updated 6 years ago
- ☆46Updated 2 years ago
- Python for chemoinformatics☆51Updated 6 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 3 years ago
- Population-based De Novo Molecule Generation, Using Grammatical Evolution☆41Updated 4 years ago
- ☆21Updated 4 years ago
- Proof of the concept implementation of smiles2vec paper☆32Updated 6 years ago
- ☆26Updated last year
- Code for training machine learning model for reaction condition prediction☆42Updated 5 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Updated 5 years ago
- Yet another ML method comparison☆16Updated 2 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- Graph-based generative model☆25Updated 6 years ago
- Learning retrosynthetic pathway design using simulated experience☆19Updated 6 years ago
- ☆21Updated 3 years ago
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Updated 2 years ago
- ☆36Updated 2 years ago
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Updated last year
- ☆17Updated 4 years ago
- ☆28Updated 2 years ago
- ☆49Updated 7 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆35Updated last year
- Overview of published generative models that produce molecules☆15Updated 5 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆16Updated 7 years ago
- ☆15Updated 3 years ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 8 months ago
- Variational Autoencoder for Molecules☆30Updated 6 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆24Updated 5 years ago