Metadata-Version: 2.1
Name: ladock
Version: 0.1.1
Summary: LADOCK is an innovative and free tool designed for conducting simultaneous simulations in computer-aided drug discovery, encompassing molecular docking and molecular dynamics. In molecular docking, LADOCK excels in handling single or double ligands. It supports ligands from various online sources. In molecular dynamics, LADOCK efficiently manages protein-ligand interactions and even ligand-ligand interactions, accommodating scenarios with one or multiple proteins and ligands.
Author: La Ode Aman
Author-email: laode_aman@ung.ac.id
License: Apache License 2.0
Requires-Python: >=3.6
Requires-Dist: subprocess
Requires-Dist: glob
Requires-Dist: shutil
Requires-Dist: requests
Requires-Dist: biopython
Requires-Dist: tqdm
Requires-Dist: argparse
Requires-Dist: gzip
Requires-Dist: csv
Requires-Dist: numpy
Requires-Dist: futures
Requires-Dist: acpype
Requires-Dist: rdkit
Requires-Dist: tensorflow
Requires-Dist: matplotlib
Requires-Dist: itertools
Requires-Dist: pandas
Requires-Dist: joblib
