jshmjs45 / data_for_chemLinks
Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"
☆22Updated 2 years ago
Alternatives and similar repositories for data_for_chem
Users that are interested in data_for_chem are comparing it to the libraries listed below
Sorting:
- Transformer-based model for chemical reactions☆87Updated 6 months ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆77Updated 3 years ago
- ☆71Updated last year
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆133Updated 2 years ago
- Contains results and data from Augmented Transformer article☆39Updated 5 years ago
- ☆49Updated 3 years ago
- Text mining of chemical reactions☆110Updated 11 months ago
- ☆93Updated 2 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆45Updated 7 months ago
- ☆51Updated 5 years ago
- ☆64Updated 4 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆80Updated 3 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆89Updated 2 years ago
- ☆63Updated last year
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆177Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- ☆69Updated 2 years ago
- ☆107Updated 4 years ago
- ☆85Updated 7 years ago
- Action sequence prediction for arbitrary chemical equations☆26Updated 4 years ago
- ☆56Updated 3 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆82Updated last year
- Predicting Organic Reactivity with LocalTransform☆48Updated 7 months ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆191Updated 4 years ago
- semi-supervised learning for molecular property prediction☆51Updated 4 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)☆83Updated last year
- Extraction of action sequences from experimental procedures☆43Updated 2 years ago
- ☆30Updated 2 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago