This manuscript is now online in Molecular Physics!
In addition to sharing the pre-print last month, it is published as an open access article:
https://t.co/LmMi4fq8FV
Read about how MoSDeF and other community tools enable reproducible molecular simulations:
Towards Molecular Simulations that are Transparent, Reproducible, Usable By Others, and Extensible (TRUE)
https://t.co/OqnEU5zIqP
Included are four example workflows, distributed as Jupyter notebooks on GitHub, with detailed instructions on how to fully reproduce each set of simulations.
Read about how MoSDeF and other community tools enable reproducible molecular simulations:
Towards Molecular Simulations that are Transparent, Reproducible, Usable By Others, and Extensible (TRUE)
https://t.co/OqnEU5zIqP
[ASAP] MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films https://t.co/yyeVrkGEAl