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openff-toolkit Public
Forked from openforcefield/openff-toolkitThe Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Python MIT License UpdatedJun 16, 2025 -
conda-forge-pinning-feedstock Public
Forked from conda-forge/conda-forge-pinning-feedstockA conda-smithy repository for conda-forge-pinning.
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 29, 2025 -
IQmol Public
Forked from nutjunkie/IQmolIQmol is an open source molecular editor and visualization package
C++ GNU General Public License v3.0 UpdatedDec 15, 2022 -
inih Public
Forked from benhoyt/inihSimple .INI file parser in C, good for embedded systems
C Other UpdatedAug 8, 2022 -
pyui Public
Simple python script to run umbrella integration analysis
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FLAP Public
Forked from szaghi/FLAPFortran command Line Arguments Parser for poor people
Fortran UpdatedAug 3, 2021 -
gpu-burn Public
Forked from wilicc/gpu-burnMulti-GPU CUDA stress test
C++ BSD 2-Clause "Simplified" License UpdatedMar 7, 2021 -
wowchemy-hugo-modules Public
Forked from HugoBlox/hugo-blox-builder📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!
JavaScript MIT License UpdatedNov 8, 2020 -
Quantum chemistry and solid state physics software package
Fortran GNU General Public License v2.0 UpdatedSep 11, 2020 -
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fparser Public
Forked from stfc/fparserThis project maintains and develops a Fortran parser called fparser2 written purely in python which supports Fortran 2003 and some Fortran 2008. A legacy parser fparser1 is also available but is no…
Python Other UpdatedJul 10, 2019 -
gamess_impi_maskgen Public
Simple python script to generate I_MPI_PIN_DOMAIN masks for GAMESS on KNL clusters
Python MIT License UpdatedNov 8, 2018 -
ggplot2 Public
Forked from tidyverse/ggplot2An implementation of the Grammar of Graphics in R
R GNU General Public License v2.0 UpdatedMar 17, 2018 -
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mkl-dnn Public
Forked from uxlfoundation/oneDNNIntel(R) Math Kernel Library for Deep Neural Networks (Intel(R) MKL-DNN)
C++ Apache License 2.0 UpdatedOct 9, 2017
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