merzlab Goto Github PK
Type: User
Company: Michigan State University
Bio: We are a computational chemistry research group at the Department of Chemistry, Michigan State University.
Location: 578 S. Shaw lane drive, East Lansing MI 48910
merzlab's Projects
cchemtools
A collection of computational chemistry tools useful for routine molecular dynamics simulations using AMBER.
cpptraj
Biomolecular simulation trajectory/data analysis.
cuda
Hough Transform Tracking using Thrust
pytraj
Python interface of cpptraj
quick
QUICK: A GPU-enabled ab intio quantum chemistry software package
quick-docs
Sphinx based documentation for QUICK QM package
quick-genint
CUDA capable integral generator for QUICK quantum chemistry code
quick-tests
A collection of input files and benchmarks for the QUICK quantum chemistry package.
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