MolSSI SEAMM

Organization

@molssi-seamm

Simulation Environment for Atomistic and Molecular Modeling

molssi-seamm.github.io On GitHub since June 2019

Published Tools

Total Stars

Weekly Downloads

GitHub Followers

Public Repos

Published Tools

3 Skillsacross 2 categories

Engine-agnostic N-fragment counterpoise (BSSE) job-spec generation and result combination for SEAMM

Skillai-ml

1 dir

Many-body expansion (MBE) corrections for periodic cells and clusters: fragment enumeration, increment algebra and virial for SEAMM

...more

Skillai-ml

1 dir

Paul Saxe

A SEAMM plug-in for straining periodic systems

Skilluncategorised