Irfan Alibay 6a5811c769 HybridTop structural analysis via API rather than CLI (#1771) ...

* change structural analysis from using CLI to using API

2026-01-09 00:06:15 +00:00

..

analysis

add ruff isort linting rule (#1665)

2025-11-10 21:58:30 +00:00

orchestration

Initial skeleton

2022-01-24 15:08:53 -05:00

protocols

HybridTop structural analysis via API rather than CLI (#1771)

2026-01-09 00:06:15 +00:00

setup

ruff: address pycodestyle changes (#1668)

2025-11-11 11:34:29 -07:00

storage

add ruff isort linting rule (#1665)

2025-11-10 21:58:30 +00:00

tests

HybridTop structural analysis via API rather than CLI (#1771)

2026-01-09 00:06:15 +00:00

utils

remove mypy rdkit pin (#1753)

2025-12-17 15:45:40 -07:00

__init__.py

expose KartografAtomMapper alongside other AtomMappers (#1751)

2025-12-16 15:38:45 -08:00

due.py

add ruff isort linting rule (#1665)

2025-11-10 21:58:30 +00:00