Dominic A. Sirianni, PhD's repositories
Awesome-CV
:page_facing_up: Awesome CV is LaTeX template for your outstanding job application
bindertest
Tests the binder-ability for a Psi4-enabled repo.
Bootcamp2019
Central repository for 2019 Summer Data Science Bootcamp instructional materials.
psi4numpy
Combining Psi4 and Numpy for education and development.
hiTeX
Centralizes high-level LaTeX templates, macros, styles, and themes into a single repository.
hugo-academic
📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!
meghna-hugo
Meghna Hugo Template
planets
Planetary information for familiarization with git & GitHub basics
psi4-anaconda-space
Template repo for using Psi4 inside GitHub codespaces
Psi4-OpenMM-Interface
Minimal interface between Psi4 and OpenMM that allows passing of molecular systems between each program. Additionally, some helpful tools are included such as spherical addition of solvent (because adding solvent other than water doesn't work with addSolvent in OpenMM), calculation of bond lengths, angles, dihedrals, and unique conformation searching.
psi4education
Psi4Education Labs
psi4media
logos, pictures, posters for the Psi4 project
QC_JSON_Schema
A JSON Schema for Quantum Chemistry
qcdb
quantum chemistry common driver and databases
qcdb-sandbox
Databases and Interoperability in Quantum Chemistry
QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
QCFractal
A distributed compute and database platform for quantum chemistry.
qchem-teaching
Quantum Chemistry Teaching Labs and Exercises
resp2
RESP plugin for PSI4
RINRUS
Residue Interaction Network ResidUe Selector (RINRUS) public release
sage
Main repository of SageMath. Now open for Issues and Pull Requests.
scholar.py
A parser for Google Scholar, written in Python
SciCompforChemists
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
SkillsWorkshop2018
Repository containing resources and assignments for the IDEaS Summer Skills Workshop 2018.