Published February 23, 2025
| Version 2025.2.23
Software
Open
SEAMM: Simulation Environment for Atomistic and Molecular Modeling
Authors/Creators
- 1. Molecular Sciences Software Institute
Description
Added ability to ignore or discard a structure from e.g. optimization Added isomeric SMILES to the possible names for systems and configurations
Notes
Funding: NSF OAC-1547580 and CHE-2136142
Files
molssi-seamm/seamm-2025.2.23.zip
Files
(548.7 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:9a670035d640fd4d2be906917fd3d871
|
548.7 kB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/molssi-seamm/seamm/tree/2025.2.23 (URL)
Software
- Repository URL
- https://github.com/molssi-seamm/seamm