twa: The World Avatar Python package for dynamic knowledge graphs and its application in reticular chemistry
Open Access
- 30 June 2025
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Digital Discovery
- Vol. 4 (8) , 2123-2135
Abstract
The open-source Python package ‘twa’ streamlines knowledge-graph-driven chemical data integration and workflow automation, unifying fragmented data and expanding the OntoMOPs knowledge graph with 799 new MOPs. It is available via ‘pip install twa’.Keywords
Funding Information
- National Research Foundation Singapore (Campus for Research Excellence and Technological Enterprise)
- Engineering and Physical Sciences Research Council (EP/Y016076/1)
This publication has 45 references indexed in Scilit:
- Digital Metallo‐Supramolecular ChemistryChemistryEurope, 2025
- ORGANA: A robotic assistant for automated chemistry experimentation and characterizationMatter, 2024
- Hacking decarbonization with a community-operated CreatorSpaceChem, 2024
- A derived information framework for a dynamic knowledge graph and its application to smart citiesFuture Generation Computer Systems, 2023
- Weak interaction-steered evolution of polyoxovanadate-based metal-organic polyhedra from transformation via interlock to packingChinese Chemical Letters, 2023
- Toward a Unified Description of Battery DataAdvanced Energy Materials, 2021
- Owlready: Ontology-oriented programming in Python with automatic classification and high level constructs for biomedical ontologiesArtificial Intelligence in Medicine, 2017
- Predicting Molecules—More Realism, Please!Angewandte Chemie International Edition, 2008
- Reticular Chemistry of Metal–Organic PolyhedraAngewandte Chemie International Edition, 2008
- Managing multiple and distributed ontologies on the Semantic WebThe VLDB Journal, 2003