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spgrep: On-the-fly generator of space-group irreducible representations
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published Published about 1 month ago
Dark-field X-ray microscopy visualization
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OpenMSIStream: A Python package for facilitating integration of streaming data in diverse laboratory environments
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smol: A Python package for cluster expansions and beyond
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solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS
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UnlockNN: Uncertainty quantification for neural network models of chemical systems
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Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions
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coxeter: A Python package for working with shapes
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