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m-a-d-n-e-s-s/madness
m-a-d-n-e-s-s/madness PublicMultiresolution Adaptive Numerical Environment for Scientific Simulation
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QuantumResponsePro
QuantumResponsePro PublicQuantumResponsePro: A Python package for computing, comparing, and analyzing dynamic molecular response properties in TDDFT and TDHF formalisms, streamlining the use of MADNESS and Dalton quantum c…
Gnuplot
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ai-science-training-series
ai-science-training-series PublicForked from argonne-lcf/ai-science-training-series
Jupyter Notebook 2
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madness
madness PublicForked from m-a-d-n-e-s-s/madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
C++ 1
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QCFractal
QCFractal PublicForked from MolSSI/QCFractal
A distributed compute and database platform for quantum chemistry.
Python 1
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QCEngine
QCEngine PublicForked from MolSSI/QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
Python 1
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