Skip to content

GitLab

Explore

Sign in

Primary navigation

Project

O

openstructure
- Activity
- Members

Snippets Groups Projects

071a5a6e

Commit 071a5a6e authored 10 months ago by Studer Gabriel

Downloads
- Patches
- Plain Diff

ligand scoring: refactor ligand assignment functionality

parent f0604436

No related branches found

No related tags found

Loading

Changes 4

Hide whitespace changes

Inline Side-by-side

Showing

modules/mol/alg/pymod/ligand_scoring_base.py 65 additions, 0 deletions

modules/mol/alg/pymod/ligand_scoring_base.py
modules/mol/alg/pymod/ligand_scoring_lddtpli.py 3 additions, 0 deletions

modules/mol/alg/pymod/ligand_scoring_lddtpli.py
modules/mol/alg/pymod/ligand_scoring_scrmsd.py 3 additions, 0 deletions

modules/mol/alg/pymod/ligand_scoring_scrmsd.py
modules/mol/alg/tests/test_ligand_scoring_fancy.py 13 additions, 0 deletions

modules/mol/alg/tests/test_ligand_scoring_fancy.py

with 84 additions and 0 deletions

Loading

0% Loading or .

You are about to add 0 people to the discussion. Proceed with caution.

Finish editing this message first!

Please register or sign in to comment