Pinned Repositories
AnalyticalProjects
A series of jupyter notebooks to help chemistry students learn python for analytical chemistry
atmos_chem
Box Model for Ozone
cclib
Parsers and algorithms for computational chemistry logfiles
chemcompute_issues
django-password-reset
Class-based views for password reset
dockerspawner
Spawns JupyterHub single user servers in Docker containers
FAIR
Finite Amplitude Impulse-Response simple climate-carbon-cycle model
infinitv_pcie
Linux driver for the Ceton InfiniTV PCIe
Intro-to-Machine-Learning-in-Chemistry
uvspecgen
Generate UV-Vis absorption spectra from TDHF/TDDFT data in ADF, GAMESS, Gaussian, and Jaguar output files.
markperri's Repositories
markperri/uvspecgen
Generate UV-Vis absorption spectra from TDHF/TDDFT data in ADF, GAMESS, Gaussian, and Jaguar output files.
markperri/AnalyticalProjects
A series of jupyter notebooks to help chemistry students learn python for analytical chemistry
markperri/atmos_chem
Box Model for Ozone
markperri/cclib
Parsers and algorithms for computational chemistry logfiles
markperri/chemcompute_issues
markperri/django-password-reset
Class-based views for password reset
markperri/dockerspawner
Spawns JupyterHub single user servers in Docker containers
markperri/FAIR
Finite Amplitude Impulse-Response simple climate-carbon-cycle model
markperri/infinitv_pcie
Linux driver for the Ceton InfiniTV PCIe
markperri/Intro-to-Machine-Learning-in-Chemistry
markperri/jhub_remote_user_authenticator
REMOTE_USER authenticator for Jupyterhub.
markperri/JlBox
Simulation of Atmospheric Chemistry Process rewritten from PyBox
markperri/iqb-2024
Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking
markperri/Jmol-SwingJS
SwingJS-compatible Jmol/JSmol for Java and JavaScript molecular visualization and analysis
markperri/jupyter-jsmol
markperri/psi4education
Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4-education instructor repo.
markperri/purple_air_api
Python package to get and transform PurpleAir data
markperri/PyBox
A box-model that automatically creates and solves equations used to describe the evolution in atmospheric composition using Python with Numba and, optionally, Fortran.
markperri/pylj
Teaching Utility for Classical Atomistic Simulation.
markperri/right-hand-rules
markperri/slurm-docker-cluster
A Slurm cluster using docker-compose
markperri/UManSysProp_public
Source code for predictive techniques provided in the UManSysProp facility.
markperri/university-domains-list
University Domains and Names Data List & API