Awesome C++ Chemistry
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| updated over 1 year ago | Other
AWS-LC is a general-purpose cryptographic library maintained by the AWS Cryptography team for AWS and their customers. It Ρs based on code from the Google BoringSSL project and the OpenSSL project.
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| updated 8 months ago | BSD 3-Clause "New...
Library for reading and writing chemistry files
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| updated 4 months ago | Other
Biomolecular simulation trajectory/data analysis.
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| updated 8 months ago | Apache License 2.0
cuML - RAPIDS Machine Learning Library
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| updated about 1 month ago | GNU Lesser Genera...
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
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| updated 3 months ago | Boost Software Li...
HighFive - Header-only C++ HDF5 interface
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| updated 23 days ago | GNU General Publi...
Public development project of the LAMMPS MD software package
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| updated about 1 month ago | GNU General Publi...
Multiresolution Adaptive Numerical Environment for Scientific Simulation
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| updated over 1 year ago
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent SchrΓΆdinger equation.
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| updated 4 months ago | GNU Lesser Genera...
Open-Source Quantum Chemistry β an electronic structure package in C++ driven by Python
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| updated about 2 months ago | GNU Lesser Genera...
a unified framework for modeling chemically reactive systems
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| updated 3 months ago | MIT License
The d-SEAMS C++ core engine
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| updated 4 months ago | Other
Official public repository for the XtalOpt crystallographic multi-objective evolutionary algorithm
