Q-ChASM: Quantum Chemistry Automation and Structure Manipulation
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SEQCROW
PublicPlug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry c…AaronTools.py
PublicPython tools for automating routine tasks encountered when running quantum chemistry computations.AaronTools-docs
PublicAaronJr
PublicA command line interface for generating flexible computational quantum chemistry workflows, submitting jobs to HPC queueing systems, monitoring job progress, au…AaronTools
PublicAaron
PublicAARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions.
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