jkitchin/python-reaxff

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Language
Python
Created about 12 years ago
Updated over 10 years ago

jkitchin/python-reaxff

jkitchin

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python wrappers for generating training files for the ReaxFF code

org-ref

org-mode modules for citations, cross-references, bibliographies in org-mode and useful bibtex tools to go with it.

scimax

An emacs starterkit for scientists and engineers

dft-book

A book on modeling materials using VASP, ase and vasp

pycse

Python computations in science and engineering

jmax

Johns customizations to maximize emacs

ox-ipynb

org-mode exporter to Jupyter notebooks

Jupyter Notebook

vasp

New ASE compliant Python interface to VASP

emacs-modules

Dynamic modules for emacs

ox-clip

Copy formatted content from org-mode

ov-highlight

A persistent highlighter for Emacs

org-ref-cite

An org-cite processor that is like org-ref.

magit-tutorial

dft-book-espresso

New version of dft-book for Quantum Espresso

Jupyter Notebook

jasp

python enhancements of ase.calculators.vasp

dft-course

Course repository for 06-640 - Molecular simulation

matlab-cmu

+cmu matlab package for units and other useful things.

scipy2013

f18-06623

Fall 2018 - Mathematical Modeling of Chemical Engineering Processes

Jupyter Notebook

techela-emacs

Technology enhanced learning and assessment

s20-06681

Data science and machine learning in chemical engineering

Jupyter Notebook

s17-06364

Spring 2017 Chemical and Reaction Engineering

Jupyter Notebook

surfaces-book

Book for a course in surface science

devcontainer

Python package for using devcontainers locally

python-atat

Python wrappers for the Alloy Theoretic Automated Toolkit

htp

high-throughput tools for python - ssh and rsync

matlab-wordpress

Matlab module for publishing m-files to a Wordpress blog

jkitchin.github.com

f15-06625

06-625 Chemical and Reactive Systems

f19-06623

Course repository for 06-623

Jupyter Notebook

python-torque

My python module wrapping the Torque queue system

f21-06623

Fall 2021 Mathematical Modeling of Chemical Engineering Processes

Jupyter Notebook

f16-06625

Chemical and Reactive Systems for Fall 2016

co2rr-rev

Reviewing the CO2RR literature

s22-06681

Course materials for data visualization and modeling

Jupyter Notebook

hyve

techela

Techela in a Flask

scipy-conference

talks I have given at the SciPy conference

sse

Jupyter Notebook

codespace

elpa

ELPA repository for my emacs packages

csearch

search utilities for Google colab

Jupyter Notebook

scimax-channel

See https://www.youtube.com/playlist?list=PL0sMmOaE_gs3E0OjExoI7vlCAVygj6S4I

expert-chainsaw

emacs-win

An emacs distribution for use with jmax

dsmles

Jupyter Notebook

box-course

Python wrappers for the box.com v2 API

texmf

LaTeX packages for writing scientific articles

jupyter-pycse

Jupyter Notebook

homebrew-scimax

A Tap for installing scimax via homebrew

s23-example

scimax-win-elpa

Preinstalled elpa packages specifically for scimax on Windows

claude-light-python

Python interface to Claude Light

Jupyter Notebook