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MolSSI – The Molecular Sciences Software Institute

The MolSSI builds open-source software and data that serve the computational molecular science community. Education at the MolSSI Education of students, post-docs, and faculty on …

Molssi.org

Home | MolSSI Education

Education at MolSSI. Education of students, post-docs, and faculty on programming and Best Practices in Software Development is a large part of MolSSI's mission. Our education program …

Education.molssi.org

The Molecular Science Software Institute · GitHub

The Molecular Science Software Institute · GitHub The Molecular Science Software Institute A nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. [MolSSI] 37 …

Github.com

About the MolSSI – MolSSI

About MolSSI Launched August 1st, 2016, the Molecular Sciences Software Institute (MolSSI), is a multi-university collaboration designed to serve and enhance the software-development …

Molssi.org

Python Scripting for Computational Molecular Science - MolSSI …

Python Scripting for Computational Molecular Science This lesson by the Molecular Sciences Software Institute (MolSSI) teaches users fundamentals of scientific programming used in …

Education.molssi.org

COVID-19 Molecular Structure and Therapeutics Hub - MolSSI

This site provides a community-driven data repository and curation service for molecular structures, models, therapeutics, and simulations related to computational research related to …

Covid.molssi.org

BSE – MolSSI

The Basis Set Exchange (BSE) is a quintessential service for the quantum chemistry community. First online in 2007, it is well known by both users and basis set creators as the go-to source …

Molssi.org

The MolSSI QCArchive

MolSSI's QCArchive Project. A free, community-driven, multi-user quantum chemistry database. The core of this project sets out to answer the fundamental question of "How do we compile, aggregate, query, and share quantum …

Qcarchive.molssi.org

Simulations - MolSSI

Simulations Simulations of Relevance to SARS-CoV-2 Data classification: Simulations: The datasets produced as a result of applying the models to different scientific techniques. …

Covid.molssi.org

Machine Learning and Chemistry: Are We There Yet? – MolSSI

Dec 12, 2022 · From image classifiers to board games to protein structure prediction, ML and big data and internet are making large impacts in nearly every field, including chemistry and …

Molssi.org

GitHub - MolSSI/cookiecutter-cms: Python-centric Cookiecutter …

Nov 14, 2022 · The MolSSI Cookiecutter will strive to support the current version of Python, two minor versions before. This philosophy is in align with Conda-Forge's guidelines and gives …

Github.com

Board of Directors – MolSSI

Prof. Ashley Ringer McDonald Co-Director for Education, Training, and Faculty Development [email protected] Prof. Ashley Ringer McDonald directs the MolSSI’s diverse …

Molssi.org

Python Package Best Practices - MolSSI Education

MolSSI best practices provides a starting point to get into software development operations to ensure that your code is reliable and reproducible while decreasing long-term maintenance …

Education.molssi.org

The Molecular Sciences Software Institute | Blacksburg VA

The MolSSI serves as a nexus for science,... The Molecular Sciences Software Institute, Blacksburg, Virginia. 489 likes · 6 talking about this · 1 was here. The MolSSI serves as a …

Facebook.com

GitHub - MolSSI-MDI/MDI_Library: A library that enables code ...

Complete documentation can be found at https://molssi-mdi.github.io/MDI_Library License The MDI Library is released under the BSD 3-clause license. See LICENSE for details. …

Github.com

Contributions by Organization - MolSSI

The MolSSI is supported by the U.S. National Science Foundation through grant number OAC-1547580. BioExcel is funded by the European Union Horizon 2020 program under grant …

Covid.molssi.org

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