Grow your team on GitHub
GitHub is home to over 28 million developers working together. Join them to grow your own development teams, manage permissions, and collaborate on projects.Sign up
A client interface to the QC Archive Project
Public development project of the LAMMPS MD software package
A distributed compute and database platform for quantum chemistry.
Mirror of the Quantum ESPRESSO repository
A library that enables code interoperability via the MolSSI Driver Interface.
A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.
The Energy Expression Exchange for Molecular Dynamics.
A Schema for Quantum Chemistry
A place to store information for the tensor discussions and possible specifications.
General guidelines for using MolSSI logo, colors, and fonts.
A starting template for Python programs
MolSSI Integral Reference Project
Best practices for simulating the glass transition temperature of polymers using molecular dynamics