CambridgeMolecularEngineering / chemdataextractorLinks
Pipeline for automated extraction of chemical property information from scientific documents
☆18Updated 6 years ago
Alternatives and similar repositories for chemdataextractor
Users that are interested in chemdataextractor are comparing it to the libraries listed below
Sorting:
- Extracts data from tables with complicated structures.☆16Updated 5 months ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- An open-source effort towards accessible polymer data☆37Updated 4 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 3 years ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Updated last year
- Hierarchical template correction for chemical reactions☆15Updated last year
- ☆14Updated 3 years ago
- ☆25Updated 4 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Updated 5 years ago
- ☆31Updated last month
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆15Updated 2 years ago
- Python toolkit for resolving chemical schematic diagrams.☆42Updated 5 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆15Updated last year
- ☆15Updated 3 months ago
- A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE pipeline☆15Updated 2 years ago
- ☆12Updated 6 years ago
- ☆13Updated 10 months ago
- Automagically resolve the best structure for molecules across several databases from identifiers☆24Updated 3 weeks ago
- Prediction molecular structure from NMR spectra☆34Updated last year
- Agentic framework for computational chemistry and materials science workflows☆18Updated last week
- Given an image of a molecule create a smiles or mol represenatation.☆26Updated 4 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆21Updated last week
- ☆12Updated 4 years ago
- Automated Transition States Builder☆11Updated 2 years ago
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆14Updated last year
- ☆17Updated last year
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆35Updated 11 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Updated last year
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆44Updated last month
- Interactive plots with chemical structures☆15Updated 5 years ago