Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
-
Updated
Jan 17, 2025
#
autodocktools
Here are 4 public repositories matching this topic...
Computational Drug Screening Platform
-
Updated
Dec 20, 2023 - Python
A Bash script to submit batch jobs to ORCA, OpenBabel, MGLTools, and Autodock Vina. Automatically checks for syntax errors in ORCA input files, and can also identify ORCA runtime crashes. Organizes log files into individual directories, and creates an easy to read results summary text file. Created by Rac Mukkamala
-
Updated
Mar 19, 2021 - Python
This repository contains the Assurance of Learning (AoL) Project by Jonathan et al. for the Computational Biology course (SCIE6062001). The project received a high distinction with a score of 100 (Grade: A).
computational-biology project pymol openbabel pubchem ncbi autodocktools autodock-vina swiss-model assurance-of-learning
-
Updated
Jun 26, 2024
Improve this page
Add a description, image, and links to the autodocktools topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the autodocktools topic, visit your repo's landing page and select "manage topics."