Files · 8985aee6ac31c08811d3c7c6735f4ad01536f8b9 · open / DockStream · GitLab

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Improved temporary file generation and allowing auto-generation of required… · 8985aee6

Improved temporary file generation and allowing auto-generation of required output folder structure for both ligand embedding and docking phases.

committed Sep 08, 2021

Name	Last commit	Last Update
dockstream		Loading commit data...
examples		Loading commit data...
tests		Loading commit data...
.gitignore		Loading commit data...
ChangeLog.md		Loading commit data...
DockStream.jpg		Loading commit data...
LICENSE		Loading commit data...
README.md		Loading commit data...
__init__.py		Loading commit data...
analysis.py		Loading commit data...
benchmarking.py		Loading commit data...
docker.py		Loading commit data...
environment.yml		Loading commit data...
environment_full.yml		Loading commit data...
generate_json_schema.py		Loading commit data...
install_GOLD.txt		Loading commit data...
sample_user_input.json		Loading commit data...
sdf2smiles.py		Loading commit data...
setup.cfg		Loading commit data...
setup.py		Loading commit data...
smiles_clean_up.py		Loading commit data...
target_preparator.py		Loading commit data...
unit_tests.py		Loading commit data...