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mathlib: A Scala package for readable, verifiable and sustainable simulations of formal theory
published Published 4 months ago
PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator
C++ C
published Published about 1 year ago
brains-py, A framework to support research on energy-efficient unconventional hardware for machine learning
Python
published Published about 1 year ago
The Generalized Green's function Cluster Expansion: A Python package for simulating polarons
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published Published about 1 year ago
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Python Jupyter Notebook
published Published over 1 year ago
spgrep: On-the-fly generator of space-group irreducible representations
Python
published Published about 2 years ago
smol: A Python package for cluster expansions and beyond
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published Published about 2 years ago