v2.1.16

Full Changelog: v2.1.15...v2.1.16

v.2.1.15

Full Changelog: v2.1.14...v2.1.15

v.2.1.14 - Protein MD, Analogue Docking

Full Changelog: v2.1.13...v2.1.14

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

2.1.11

pixi update

Minor updates

Bumps stjames version

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.