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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FUSE-stable
FUSE-stable PublicThe latest stable release for the crystal structure prediction code FUSE
Repositories
- LiIonMLWebApp Public
A Flask WebApp demonstrating the code used in the Liverpool Materials Discovery Server
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- TriCondNet Public
Triple Conductivity Network (TriCondNet) implementation and benchmarking code accompanying "Physics-guided modelling of temperature-dependent electrical conductivity of functional oxides." The full model framework, nested cross-validation protocol, and hyperparametrisation workflow for each specialist network are provided.
- ipcsp-spp Public
Integer Programming encoding using Statistical Proxy Potentials for Crystal Structure Prediction with classic and quantum computing
- ICSDClient Public
A 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.
- AEs-for-ranking-phasefield-feasibility Public
Autoencoders for ranking the chemical feasibility of novel phasefields, with respect to the dataset on which the models are trained.
- pigen Public
- PhaseBO Public
- PhaseFieldRanking Public
Unsupervised ranking of the elemental combinations (phase fields) by similarity with the patterns learnt from ICSD
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