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DFTBML Public
Forked from djyaron/DFTBMLFitting DFTB Hamiltonians to data.
Python Other UpdatedDec 5, 2024 -
smu_hpc_ssh Public
Forked from SouthernMethodistUniversity/smu_hpc_sshSMU HPC SSH Configuration
Shell MIT License UpdatedNov 4, 2024 -
docker-hello-world Public
Forked from jonashackt/docker-hello-worldExample hello world container showing how to use GitHub Container Registry
Go MIT License UpdatedApr 16, 2024 -
sc23_k8s_tutorial Public
Forked from mahidhar/sc23_k8s_tutorialHands on notes for SC23
UpdatedNov 13, 2023 -
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syclacademy Public
Forked from codeplaysoftware/syclacademySYCL Academy, a set of learning materials for SYCL heterogeneous programming
HTML Creative Commons Attribution Share Alike 4.0 International UpdatedJun 22, 2023 -
ds_1300_notebooks Public
Forked from SouthernMethodistUniversity/ds_1300_notebooksJupyter Notebook UpdatedMay 20, 2022 -
applied-ai-for-materials Public
Forked from WardLT/applied-ai-for-materialsCourse materials for "Applied AI for Materials Science and Engineering"
Jupyter Notebook UpdatedMar 12, 2022 -
MoleculeX Public
Forked from divelab/MoleculeXPython GNU General Public License v3.0 UpdatedFeb 28, 2022 -
pteros Public
Forked from yesint/pterosModern and fast molecular analysis and modeling library for C++ and Python
C++ Other UpdatedDec 8, 2021 -
CrawfordProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
UpdatedNov 19, 2021 -
Transfrormation between Cartesian coordinates and redundant internal coordinates
C++ MIT License UpdatedSep 18, 2021 -
spack Public
Forked from spack/spackA flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Python Other UpdatedJul 16, 2021 -
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qml Public
Forked from qmlcode/qmlQML: Quantum Machine Learning
Python MIT License UpdatedMar 9, 2021 -
digital-history Public
Forked from stephbuon/digital-historyRepository for Text Mining as Historical Method
Jupyter Notebook GNU General Public License v3.0 UpdatedJan 22, 2021 -
focus-beamertheme Public
Forked from pcafrica/focus-beamerthemeFocus: a minimalist presentation theme for LaTeX Beamer.
TeX GNU General Public License v3.0 UpdatedNov 18, 2020 -
dftfe Public
Forked from dftfeDevelopers/dftfeDFT-FE: Real-space DFT calculations using Finite Elements
C++ Other UpdatedSep 17, 2020 -
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python-novice-gapminder Public
Forked from swcarpentry/python-novice-gapminderIntroduction to Python for non-programmers using gapminder data
HTML Other UpdatedJul 11, 2020 -
git-novice Public
Forked from swcarpentry/git-noviceSoftware Carpentry introduction to Git for novices.
HTML Other UpdatedJul 11, 2020 -
Text_Mining_Python Public
Forked from SouthernMethodistUniversity/DHRI_pythonPython Tutorial for Text Mining
Jupyter Notebook UpdatedMar 15, 2020 -
colvars Public
Forked from Colvars/colvarsCollective variables module for molecular simulation and analysis programs
C++ GNU Lesser General Public License v3.0 UpdatedFeb 18, 2020 -
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betterposter-latex-template Public
Forked from rafaelbailo/betterposter-latex-templateLaTeX Template for Mike Morrison's #betterposter
TeX GNU General Public License v3.0 UpdatedSep 2, 2019 -
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get_hansard_data Public
Script to pull down Hansard data until API works.
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box_archive Public
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.