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HDP_UMAP_Explorer
HDP_UMAP_Explorer PublicInteractive UMAP-based explorer for a spin-polarised hybrid-DFT database of 2,500+ Cs2BB′X6 halide double perovskites, enabling visual navigation of electronic structure, chemical composition, and …
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HDP_WorkFLow_Analysis
HDP_WorkFLow_Analysis PublicAll code relating to running the workflow and performing analysis for our spin-polarized hybrid-DFT database of 2,500+ Cs2BB'X6 Halide Double Perovskites.
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umap-explorer
umap-explorer PublicForked from GrantCuster/umap-explorer
An interactive UMAP visualization of the MNIST data set.
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LobsterPy
LobsterPy PublicForked from JaGeo/LobsterPy
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
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