rxn4chemistry / OpenNMT-pyLinks
RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
☆26Updated last year
Alternatives and similar repositories for OpenNMT-py
Users that are interested in OpenNMT-py are comparing it to the libraries listed below
Sorting:
- Synthetic Bayesian Classification☆43Updated 4 years ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆21Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆47Updated 4 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆35Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 7 months ago
- A Python toolbox to work with molecular similarity☆40Updated 9 months ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 2 years ago
- https://arxiv.org/abs/2102.11439☆20Updated 4 years ago
- Data and model repository for the ASKCOS application☆16Updated 3 years ago
- ☆19Updated 2 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 10 months ago
- ☆28Updated last year
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆33Updated last year
- ☆13Updated last year
- Platforms to predict reactivity for substitution reactions.☆20Updated 4 years ago
- Hierarchical template correction for chemical reactions☆14Updated 9 months ago
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Updated 2 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Quick and dirty protonation☆16Updated 2 years ago
- Machine learning predictions of bond dissociation energy☆61Updated 8 months ago
- ☆14Updated 2 years ago
- Code for training machine learning model for reaction condition prediction☆42Updated 5 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 3 years ago
- Synthesis generative model☆42Updated last month
- ☆30Updated 2 years ago
- Simple User-Friendly Reaction Format☆17Updated 7 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- ☆26Updated last year
- ☆34Updated last year