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BoltzTraP2-post-processing Public
Post-processing python scripts for BoltzTrap2
Python GNU General Public License v3.0 UpdatedJan 8, 2025 -
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedDec 13, 2024 -
aim2dat Public
Forked from aim2dat/aim2datRepository of the aim2dat python package.
Bikeshed GNU Lesser General Public License v2.1 UpdatedDec 9, 2024 -
matgl Public
Forked from materialsvirtuallab/matglGraph deep learning library for materials
Python BSD 3-Clause "New" or "Revised" License UpdatedDec 5, 2024 -
m3gnet Public
Forked from materialsvirtuallab/m3gnetMaterials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
Python BSD 3-Clause "New" or "Revised" License UpdatedNov 4, 2024 -
mala Public
Forked from mala-project/malaMaterials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
Python BSD 3-Clause "New" or "Revised" License UpdatedOct 14, 2024 -
ShakeNBreak Public
Forked from SMTG-Bham/ShakeNBreakDefect structure-searching employing chemically-guided bond distortions
Python MIT License UpdatedSep 24, 2024 -
FitSNAP Public
Forked from FitSNAP/FitSNAPSoftware for generating machine-learning interatomic potentials for LAMMPS
Python GNU General Public License v2.0 UpdatedSep 19, 2024 -
A-Computational-Introduction-to-Quantum-Physics Public
Forked from CambridgeUniversityPress/A-Computational-Introduction-to-Quantum-PhysicsThis repository provide source code with solutions to all relevant exercises in the book entitled "A Computational Introduction to Quantum Physics", by Sølve Selstø"
Python UpdatedSep 19, 2024 -
ML-DFT Public
Forked from Ramprasad-Group/ML-DFTPredict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
Python Other UpdatedSep 3, 2024 -
Properties-to-molecules-Inverse-Mapping Public
Forked from AleFalla/Properties-to-molecules-Inverse-MappingMapping properties to molecules in QM7-X
Jupyter Notebook MIT License UpdatedAug 14, 2024 -
multipyles Public
Forked from materialstheory/multipylesJupyter Notebook MIT License UpdatedFeb 27, 2024 -
psi4numpy Public
Forked from psi4/psi4numpyCombining Psi4 and Numpy for education and development.
Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedJan 8, 2024 -
interactive_latencies Public
Forked from colin-scott/interactive_latenciesJeff Dean's latency numbers plotted over time
JavaScript Other UpdatedMay 11, 2020 -
dnn-python-from-scratch Public
Forked from AISPUBLISHING/dnn-python-from-scratchJupyter Notebook UpdatedMar 28, 2020 -
covid-19-notebooks Public
Forked from alexamici/covid-19-notebooksData analysis of the COVID-19 outbreak in Italy updated daily from official sources
Jupyter Notebook Apache License 2.0 UpdatedMar 15, 2020 -
COVID-20 Public
Forked from CSSEGISandData/COVID-19Novel Coronavirus (COVID-19) Cases, provided by JHU CSSE
UpdatedMar 14, 2020 -
COVID-19 Public
Forked from pcm-dpc/COVID-19COVID-19 Italia - Monitoraggio situazione
Creative Commons Attribution 4.0 International UpdatedMar 10, 2020 -
100DOC Public
100DaysOfCode notebook - updated periodically - last update 10/oct/19
Jupyter Notebook UpdatedOct 28, 2019 -
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statsintro_python Public
Forked from thomas-haslwanter/statsintro_pythonPython modules and IPython Notebooks, for the book "Introduction to Statistics With Python"
HTML Other UpdatedSep 3, 2019 -
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aurelienGeron Public
Forked from amitanalyste/aurelienGeron“Hands-On Machine Learning with Scikit-Learn and TensorFlow” Excerpt From: Aurélien Géron. “Hands-On Machine Learning with Scikit-Learn and TensorFlow: Concepts, Tools, and Techniques to Build Inte…
Jupyter Notebook Apache License 2.0 UpdatedApr 25, 2017 -
Spoon-Knife Public
Forked from octocat/Spoon-KnifeThis repo is for demonstration purposes only.
CSS UpdatedFeb 5, 2015
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