qchasm Goto Github PK
Name: Q-ChASM: Quantum Chemistry Automation and Structure Manipulation
Type: Organization
Bio: Tools for automating computational quantum chemistry workflows
Location: University of Georgia
Blog: qchasm.org
Q-ChASM: Quantum Chemistry Automation and Structure Manipulation's Projects
aaron
AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions.
aaronjr
A command line interface for generating flexible computational quantum chemistry workflows, submitting jobs to HPC queueing systems, monitoring job progress, automatically resolving errors, and collecting results.
aarontools
Perl tools for automating routine tasks encountered when running quantum chemistry computations.
aarontools-docs
AaronTools documentation
aarontools.py
Python tools for automating routine tasks encountered when running quantum chemistry computations.
seqcrow
Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.
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