physical_validation: A Python package to assess the physical validity of molecular simulation results
| Title: | physical_validation: A Python package to assess the physical validity of molecular simulation results |
|---|---|
| Authors: | Merz, Pascal T.; Hsu, Wei-Tse; Thompson, Matt W.; Boothroyd, Simon; Walker, Chris C.; Shirts, Michael R. |
| Publisher Information: | Zenodo |
| Publication Year: | 2022 |
| Collection: | Zenodo |
| Description: | What's Changed Support for pymbar >= 4, while retaining support for older pymbar versions to avoid conflicts with other packages. Full Changelog: https://github.com/shirtsgroup/physical_validation/compare/v1.0.4.v1.0.5 |
| Document Type: | software |
| Language: | unknown |
| Relation: | https://github.com/shirtsgroup/physical_validation/tree/v1.0.5; https://zenodo.org/records/7185087; oai:zenodo.org:7185087; https://doi.org/10.5281/zenodo.7185087 |
| DOI: | 10.5281/zenodo.7185087 |
| Availability: | https://doi.org/10.5281/zenodo.7185087; https://zenodo.org/records/7185087 |
| Rights: | MIT License ; mit ; https://opensource.org/licenses/MIT |
| Accession Number: | edsbas.2F5C4966 |
| Database: | BASE |