Leverhulme Research Centre for Functional Materials Design
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ICSDClient
ICSDClient PublicA python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/index.xhtml for further details.
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cocrystal_design
cocrystal_design PublicA set of tools to rank molecular pairs by their similarity to components of co-crystal reported in the CSD.
Repositories
- VisualisationsWebApp Public
A web app for charge constrained visualisations based on Danny's work: https://github.com/lrcfmd/visualisations
lrcfmd/VisualisationsWebApp’s past year of commit activity - Site-Net-DeepInfoMax Public
Implementation of the Deep InfoMax self-supervised learning methodology on top of Site-Net
lrcfmd/Site-Net-DeepInfoMax’s past year of commit activity - HyperConvexHull Public
Computed Phase Diagrams for hyper-dimensional convex hull with Materials Project references
lrcfmd/HyperConvexHull’s past year of commit activity - ElMTree Public
An implementation of the list of clusters data structure in python to index materials datasets with respect to the Element Movers Distance for fast similarity searches. This includes a simple Flask application for hosting a live interface
lrcfmd/ElMTree’s past year of commit activity
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