feat: Add Docker support with PLIP and PyMOL integration - #87

Open

jolakopec wants to merge 10 commits into

jolakopec:feat/dockerization

Commits on Nov 3, 2025

feat: add Docker support for pipeline
Jola Kopec
committed
786d3cf
feat: add PyMOL visualization support
Jola Kopec
committed
7028f05
feat: add PyMOL to ML Docker image
Jola Kopec
committed
4c9ad1a
fix: track PLIP binding site IDs in interactions
Jola Kopec
committed
a718aad

Commits on Nov 25, 2025

Merge Docker files
benjiemc
committed
b445f08
Consolidate Docker instructions to README
benjiemc
committed
6166d69
Remove unnescessary docker files
benjiemc
committed
21de943
Remove UV from Docker setup
benjiemc
committed
ddb07b7
Remove unnescessary comments
benjiemc
committed
25946d5
Do not add data directories to gitignore
benjiemc
committed
8561e03