dan2097 / patent-reaction-extractionLinks
Text mining of chemical reactions
☆101Updated 6 months ago
Alternatives and similar repositories for patent-reaction-extraction
Users that are interested in patent-reaction-extraction are comparing it to the libraries listed below
Sorting:
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆162Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆73Updated 10 months ago
- ☆72Updated 10 months ago
- ☆69Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆77Updated last year
- ☆97Updated 4 years ago
- Transformer-based model for chemical reactions☆78Updated last month
- Contains results and data from Augmented Transformer article☆38Updated 4 years ago
- ☆84Updated 7 years ago
- ☆66Updated 5 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆178Updated 3 years ago
- ☆65Updated 4 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆96Updated last year
- Scoring of shape and ESP similarity with RDKit☆216Updated 2 months ago
- ☆55Updated last year
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆63Updated 5 years ago
- ☆33Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆72Updated 2 weeks ago
- QSARtuna: QSAR model building with the optuna framework☆125Updated 7 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆67Updated this week
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆92Updated 5 years ago
- Molecule Validation and Standardization☆171Updated 5 years ago
- The graph-convolutional neural network for pka prediction☆80Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆61Updated last year
- ☆101Updated 2 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆36Updated 2 months ago
- Code for Single-step Retrosynthesis model Retroprime☆38Updated 4 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆47Updated 4 years ago
- Retrosynthesis Prediction with an Iterative String Editing Model☆18Updated 5 months ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆69Updated 2 months ago