Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
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Sep 21, 2023
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autodocktools
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Computational Drug Screening Platform
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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
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Mar 19, 2021 - Python
This repository contains Jonathan et al.'s AoL (Assurance of Learning) Project for SCIE6062001 - Computational Biology Course. This project has been declared to have passed with a high distinction (score: 100, grade: A).
computational-biology
project
pymol
openbabel
pubchem
ncbi
autodocktools
autodock-vina
swiss-model
assurance-of-learning
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Updated
Jun 26, 2024
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