Pinned Repositories
applied-ai-for-materials
Course materials for "Applied AI for Materials Science and Engineering"
betterposter-latex-template
LaTeX Template for Mike Morrison's #betterposter
box_archive
Scripts to tar, compress, and upload large datasets to Box. The scripts use GNU Tar's multivolume feature to keep each file's size less than 15 GB and Slurm to parallelize uploading the archives.
CI_HelloWorld
colvars
Collective variables module for molecular simulation and analysis programs
cppDFT
Basic Density Functional Theory - made to be modular
CrawfordProgrammingProjects
C++ Programming Tutorial in Chemistry
csc_workshops
DFTBML
Fitting DFTB Hamiltonians to data.
m2_text_mining_tutorial
Text Mining Using R on M2
rkalescky's Repositories
rkalescky/applied-ai-for-materials
Course materials for "Applied AI for Materials Science and Engineering"
rkalescky/betterposter-latex-template
LaTeX Template for Mike Morrison's #betterposter
rkalescky/box_archive
Scripts to tar, compress, and upload large datasets to Box. The scripts use GNU Tar's multivolume feature to keep each file's size less than 15 GB and Slurm to parallelize uploading the archives.
rkalescky/colvars
Collective variables module for molecular simulation and analysis programs
rkalescky/CrawfordProgrammingProjects
C++ Programming Tutorial in Chemistry
rkalescky/csc_workshops
rkalescky/DFTBML
Fitting DFTB Hamiltonians to data.
rkalescky/dftfe
DFT-FE: Real-space DFT calculations using Finite Elements
rkalescky/digital-history
Repository for Text Mining as Historical Method
rkalescky/docker-hello-world
Example hello world container showing how to use GitHub Container Registry
rkalescky/ds_1300_notebooks
rkalescky/focus-beamertheme
Focus: a minimalist presentation theme for LaTeX Beamer.
rkalescky/get_hansard_data
Script to pull down Hansard data until API works.
rkalescky/git-novice
Software Carpentry introduction to Git for novices.
rkalescky/inquiry-for-philologic-analysis
rkalescky/irc
Transfrormation between Cartesian coordinates and redundant internal coordinates
rkalescky/local_mode_scripts
rkalescky/MoleculeX
rkalescky/planets
rkalescky/pteros
Modern and fast molecular analysis and modeling library for C++ and Python
rkalescky/python-novice-gapminder
Introduction to Python for non-programmers using gapminder data
rkalescky/qml
QML: Quantum Machine Learning
rkalescky/r_workflow_template
rkalescky/r_workflow_template_example
rkalescky/sc23-tutorial-neoverse
rkalescky/sc23_k8s_tutorial
Hands on notes for SC23
rkalescky/spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
rkalescky/syclacademy
SYCL Academy, a set of learning materials for SYCL heterogeneous programming
rkalescky/Text_Mining_Python
Python Tutorial for Text Mining
rkalescky/tif
Text Interchange Formats