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Adrian Hurtado's Projects

numerical-mooc icon numerical-mooc

A course in numerical methods with Python for engineers and scientists: currently 5 learning modules, with student assignments.

nvim-config icon nvim-config

A modern Neovim configuration with full battery for Python, C++, Markdown, LaTeX, and more...

nwchem-1 icon nwchem-1

NWChem: Open Source High-Performance Computational Chemistry

qcelemental icon qcelemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

qcengine icon qcengine

Quantum chemistry program executor and IO standardizer (QCSchema).

qcfractal icon qcfractal

A distributed compute and database platform for quantum chemistry.

qcportal icon qcportal

A client interface to the QCArchive Project (read-only image of QCFractal)

quantumresponsepro icon quantumresponsepro

QuantumResponsePro: 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 chemistry packages for accurate calculations and extensive basis set analysis.

simvascular icon simvascular

A comprehensive opensource software package providing a complete pipeline from medical image data segmentation to patient specific blood flow simulation and analysis.

summer-school-materials icon summer-school-materials

Summer school and workshop on parallel computing funded by ECP, MolSSI and others - Summer school materials

test-repo icon test-repo

This is a test repository for the class -- feel free to issue pull requests to this to learn how git works

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