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AutoMeKin Public
Forked from emartineznunez/AutoMeKinAutomated discovery of reaction Mechanisms and Kinetics
Shell MIT License UpdatedApr 3, 2025 -
ansible Public
Forked from ansible/ansibleAnsible is a radically simple IT automation platform that makes your applications and systems easier to deploy and maintain. Automate everything from code deployment to network configuration to clo…
Python GNU General Public License v3.0 UpdatedOct 18, 2024 -
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IFS Public
MolSSI Stylised Molecular Fragmentation Simulation Suite
Python GNU Lesser General Public License v3.0 UpdatedJul 7, 2024 -
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IntegratedFragmentationSuite Public
Integrated python suite to simulate fragmentation of non-covalent clusters in soft-ionisation mass spectrometry.
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personalwebsite Public
Personal-Website for publishing and keeping track of my current thesis work
HTML UpdatedAug 5, 2022 -
group-website Public
Repo for learning how to make websites with jekyll and GitHub Pages
HTML Creative Commons Zero v1.0 Universal UpdatedMay 25, 2022 -
SGMVMOO Public
Stochastic Global Multi-Variable Multi-Objective Optimization
GNU General Public License v3.0 UpdatedMay 23, 2022 -
MDSAPT Public
Forked from calpolyccg/MDSAPTSAPT energy calculator built using MDAnalysis and Psi4
Python GNU General Public License v3.0 UpdatedMay 3, 2022 -
fdm-book Public
Forked from hplgit/fdm-bookResources for "The Craft of Finite Difference Computing with Partial Differential Equations" by H. P. Langtangen
Python UpdatedOct 21, 2019 -
entropy-search Public
Forked from MethodsOfMachineLearning/entropy-searchEntropy Search for Information-Efficient Global Optimization - JMLR v13
C++ Other UpdatedApr 25, 2017
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