reinhacr
former grad student at Yale, now postdoc at MIT. RNR-kinetic modeling is the repo for my 2022 PNAS paper, others are personal repos or forked repos
MIT
Pinned Repositories
RNR-kinetic-modeling
quantumPDB
Workflow for generate a database of proteins with quantum properties
BashScripts
Contains my useful bash scripts
compchem-scripts
A repository for the scripts that I find useful when dealing with computational chemistry data from gaussian/turbomole/tinker etc packages. Some scripts are a lot cleaner/more user friendly than others. I will try to fix them when I have some time
pypdb
A Python API for the RCSB Protein Data Bank (PDB)
pyQMMM
Python package for working with multiscale scale simulation data. Forked from David Kastner to add my own stuff, then will push back
reinhacr.github.io
quantumPDB
Workflow for generate a database of proteins with quantum properties
starter-hugo-research-group
Hugo research group website
RNR-kinetic-modeling
reinhacr's Repositories
reinhacr/quantumPDB
Workflow for generate a database of proteins with quantum properties
reinhacr/BashScripts
Contains my useful bash scripts
reinhacr/reinhacr.github.io
reinhacr/pyQMMM
Python package for working with multiscale scale simulation data. Forked from David Kastner to add my own stuff, then will push back
reinhacr/compchem-scripts
A repository for the scripts that I find useful when dealing with computational chemistry data from gaussian/turbomole/tinker etc packages. Some scripts are a lot cleaner/more user friendly than others. I will try to fix them when I have some time
reinhacr/pypdb
A Python API for the RCSB Protein Data Bank (PDB)
reinhacr/RNR-kinetic-modeling