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Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedOct 19, 2024 -
PHYMOL_TS2_2024 Public
Forked from ajmisquitta/PHYMOL_TS2_2024Material for Training School #2 of the PHYMOL MSCA doctoral network.
Jupyter Notebook UpdatedSep 10, 2024 -
tinygrad Public
Forked from tinygrad/tinygradYou like pytorch? You like micrograd? You love tinygrad! ❤️
Python MIT License UpdatedJul 24, 2024 -
rocm-build Public
Forked from xuhuisheng/rocm-buildbuild scripts for ROCm
C++ Apache License 2.0 UpdatedJul 1, 2024 -
libint Public
Forked from evaleev/libintLibint: high-performance library for computing Gaussian integrals in quantum mechanics
C++ Other UpdatedJun 5, 2024 -
gpt-investor Public
Forked from mshumer/gpt-investorJupyter Notebook MIT License UpdatedMar 22, 2024 -
poetry-dynamic-versioning Public
Forked from mtkennerly/poetry-dynamic-versioningPlugin for Poetry to enable dynamic versioning based on VCS tags
Python MIT License UpdatedJan 3, 2024 -
QuGCM Public
Forked from pnnl/QuGCMCode and data fro QuGCM and ADAPT-GCM
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cholespy Public
Forked from rgl-epfl/cholespyAn easily integrable Cholesky solver on CPU and GPU
C BSD 3-Clause "New" or "Revised" License UpdatedAug 22, 2023 -
urllib3-mock Public
Forked from florentx/urllib3-mockA utility for mocking out the urllib3 library.
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IntegratorXX Public
Forked from wavefunction91/IntegratorXXC++ BSD 3-Clause "New" or "Revised" License UpdatedJul 12, 2023 -
pyo3_setuptools_rust Public
Slightly modified starter based off https://github.com/PyO3 examples/setuptools-rust-starter
Python Apache License 2.0 UpdatedJul 8, 2023 -
GauXC Public
Forked from wavefunction91/GauXCGauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham d…
C++ Other UpdatedJun 29, 2023 -
libnpy Public
Forked from llohse/libnpyC++ library for reading and writing of numpy's .npy files
C++ MIT License UpdatedFeb 22, 2023 -
SOFTX-D-22-00404 Public
Forked from ElsevierSoftwareX/SOFTX-D-22-00404cnpy++ fork
C++ MIT License UpdatedJan 29, 2023 -
ovds-utils Public
Forked from micmurawski/ovds-utilsOVDS-Utils is a python library implementing classes and wrapers with easier to comprehend interfaces to openvds.
Python MIT License UpdatedJan 23, 2023 -
trexio Public
Forked from TREX-CoE/trexioTREX I/O library
C BSD 3-Clause "New" or "Revised" License UpdatedJan 11, 2023 -
libchol Public
a library for computing cholesky decomposed 2-electron integrals in QC
MIT License UpdatedNov 6, 2022 -
libintx Public
Forked from ValeevGroup/libintxfork of ValeevGroup's libintx
C++ UpdatedOct 4, 2022 -
libgnme Public
Forked from hgaburton/libgnmeA C++ library for evaluating non-orthogonal matrix elements in electronic structure
C MIT License UpdatedAug 22, 2022 -
lightspeed Public
Forked from robparrish/lightspeedLightspeed: An ultralight C++/Python library for electronic structure theory development
C++ Other UpdatedJun 17, 2022 -
pyspark-style-guide Public
Forked from palantir/pyspark-style-guideThis is a guide to PySpark code style presenting common situations and the associated best practices based on the most frequent recurring topics across the PySpark repos we've encountered.
Python MIT License UpdatedJan 17, 2022 -
pyscf-tblis Public
Forked from pyscf/pyscf-tblisA wrapper to call TBLIS functions
Python Apache License 2.0 UpdatedNov 28, 2021 -
delocate Public
Forked from matthew-brett/delocateFind and copy needed dynamic libraries into python wheels
Python BSD 2-Clause "Simplified" License UpdatedOct 23, 2021 -
cloud-pak-for-data-examples Public
Forked from IBM/cloud-pak-for-data-examplesSamples to help customers modernize Data & AI on Cloud Pak for Data
Apache License 2.0 UpdatedJul 29, 2021 -
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lloyd Public
Forked from duhaime/lloydConstrained Lloyd Iteration for distributing 2D points
Jupyter Notebook MIT License UpdatedJun 8, 2021 -
prospector Public
Forked from prospector-dev/prospectorInspects Python source files and provides information about type and location of classes, methods etc
Python GNU General Public License v2.0 UpdatedMay 25, 2021 -
PyParSVD Public
Forked from Romit-Maulik/PyParSVDAn implementation of the 1. Parallel, 2. Streaming, 3. Randomized SVD using MPI4Py
Python MIT License UpdatedMay 6, 2021 -
factory_boy Public
Forked from FactoryBoy/factory_boyA test fixtures replacement for Python
Python MIT License UpdatedApr 11, 2021
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