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Queen's University
- Kingston, Ontario
- https://scholar.google.com/citations?user=TTJ2j3MAAAAJ&hl=en
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theochem/procrustes
theochem/procrustes PublicPython library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
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theochem/grid
theochem/grid PublicPython library for numerical integration, interpolation, and differentiation on (molecular) grids.
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McMasterFinance
McMasterFinance PublicThis is used for the McMaster Finance Team. By James He and Ali Tehrani
MATLAB
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ChemToolsCUDA
ChemToolsCUDA PublicHigh performance CUDA/Python Library For Computing Quantum Chemistry Density-Based Descriptors For Larger Systems Using GPUs
Cuda
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BFit
BFit PublicForked from theochem/BFit
Fit a convex sum of positive basis functions to any probability distribution
Python
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