Releases: rowansci/rowan-python
Releases · rowansci/rowan-python
Release list
v2.1.13 - Add PyPermm
Full Changelog: v2.1.12...v2.1.13
Add ADMET + Membrane Permeability
Full Changelog: 2.1.11...v2.1.12
Add logfile to workflow
Minor updates
Add file download methods
- Added dcd download for pose analysis md
- added pdb download for proteins
MSA and Batch Submit
- New MSA workflow available via submit_msa_workflow
- New batch_submit_workflow function that works for all workflow types
Frequencies Access
Add flag to read_calculation_to_molecules to allow for frequencies to be accessed.
Add Strain Workflow
- Add function to submit a strain workflow
- Add Cofolding options
Minor fixes
- pydantic bug fix
- Increase client timeout
- Add more example scripts
Add aqueous solubility
v2.1.4 update version and sync public