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pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedApr 1, 2026 -
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iqb-2025 Public
Forked from MolSSI-Education/iqb-2025Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedMay 2, 2025 -
QCEngine Public
Forked from MolSSI/ 8000 QCEngineQuantum chemistry program executor and IO standardizer (QCSchema).
Python BSD 3-Clause "New" or "Revised" License UpdatedMay 1, 2025 -
QCElemental Public
Forked from MolSSI/QCElementalPeriodic table, physical constants, and molecule parsing for quantum chemistry.
Python BSD 3-Clause "New" or "Revised" License UpdatedJan 31, 2025 -
SIRIUS Public
Forked from electronic-structure/SIRIUSDomain specific library for electronic structure calculations
C++ BSD 3-Clause "New" or "Revised" License UpdatedNov 12, 2024 -
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deepchem Public
Forked from deepchem/deepchemDemocratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Python MIT License UpdatedSep 11, 2024 -
avrdude Public
Forked from avrdudes/avrdudeAVRDUDE is a utility to program AVR microcontrollers
C GNU General Public License v2.0 UpdatedAug 29, 2024 -
DoNOFsw Public
Forked from DoNOF/DoNOFswDonostia Natural Orbital Functional Software
BASIC GNU General Public License v3.0 UpdatedAug 7, 2024 -
QCFractal Public
Forked from MolSSI/QCFractalA distributed compute and database platform for quantum chemistry.
Python BSD 3-Clause "New" or "Revised" License UpdatedAug 6, 2024 -
MachineLearning Public
Forked from xingzemao/MachineLearningCourse on Machine Learning and Statistical data Analysis with book at https://compphysics.github.io/MachineLearning/doc/LectureNotes/_build/html/intro.html. Contains Linear and Logistic Regression,…
Creative Commons Zero v1.0 Universal UpdatedJun 27, 2024 -
handson-ml2 Public
Forked from ageron/handson-ml2A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
Jupyter Notebook Apache License 2.0 UpdatedJun 13, 2024 -
handson-ml3 Public
Forked from ageron/handson-ml3A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
Jupyter Notebook Apache License 2.0 UpdatedJun 11, 2024 -
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ComputationalPhysics2 Public
Forked from CompPhysics/ComputationalPhysics2Advanced course in Computational Physics, see texbook at http://compphysics.github.io/ComputationalPhysics2/doc/LectureNotes/_build/html/ with an emphasis on computational quantum mechanics, machin…
Creative Commons Zero v1.0 Universal UpdatedMay 19, 2024 -
spice-dataset Public
Forked from openmm/spice-datasetA collection of QM data for training potential functions
Python MIT License UpdatedApr 15, 2024 -
ATtiny13-TinyOLEDdemo Public
Forked from wagiminator/ATtiny13-TinyOLEDdemoI²C OLED on an ATtiny10/13/202
C++ Other UpdatedMar 16, 2024 -
ubuntu_canon_printer Public
Forked from hieplpvip/ubuntu_canon_printerScript for installing the Linux CAPT Printer Driver for Canon LBP printers on Ubuntu (both 32-bit and 64-bit)
Shell UpdatedNov 1, 2023 -
qgss-2023 Public
Forked from qiskit-community/qgss-2023All things Qiskit Global Summer School 2023: Theory to Implementation - Lecture notes, Labs and Solutions
Jupyter Notebook UpdatedOct 25, 2023 -
openff-sage Public
Forked from openforcefield/openff-sageScripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.
Python MIT License UpdatedOct 24, 2023 -
QCPortal Public
Forked from MolSSI/QCPortalA client interface to the QCArchive Project (read-only image of QCFractal)
Python BSD 3-Clause "New" or "Revised" License UpdatedSep 13, 2023 -
AVR-projects Public
Forked from swharden/AVR-projectsA collection of standalone AVR projects written in C
C MIT License UpdatedSep 8, 2023 -
qutip-notebooks Public
Forked from qutip/qutip-notebooksA collection of IPython notebooks using QuTiP: examples, tutorials, development test, etc.
Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedAug 1, 2023 -
dlwpt-code Public
Forked from deep-learning-with-pytorch/dlwpt-codeCode for the book Deep Learning with PyTorch by Eli Stevens, Luca Antiga, and Thomas Viehmann.
Jupyter Notebook UpdatedJul 26, 2023 -
MLSummerSchool Public
Forked from CompPhysics/MLSummerSchoolMaterial on Machine Learning methods applied to Physics analysis, with an emphasis on Regression and Deep Learning Methods. https://compphysics.github.io/MLSummerSchool/doc/web/course.html gives yo…
UpdatedMay 4, 2023 -
cG-SchNet Public
Forked from atomistic-machine-learning/cG-SchNetcG-SchNet - a conditional generative neural network for 3d molecular structures
Python MIT License UpdatedMar 24, 2023 -
ProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
UpdatedDec 30, 2022 -
mopac Public
Forked from openmopac/mopacMolecular Orbital PACkage
Fortran GNU Lesser General Public License v3.0 UpdatedDec 18, 2022
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