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7 search results found

Jupyter_dock ⭐ 215

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

Py4chemoinformatics ⭐ 53

Python for chemoinformatics

implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking

Labodock ⭐ 13

LABODOCK: A Colab-Based Molecular Docking Tools

Deep Purpose Tutorial ⭐ 9

Repository for the HackBio'2021 Internship for Team Drug-Development-A

Fep Minus ⭐ 8

Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus identical calculation but for FREE (Only for Academic community). Give it a like if this helps you so that I know this is useful to others.

Molecular generative framework for protein-protein interface inhibitors

Este repositorio debe ser el punto de partida y encuentro para cualquier investigador o estudiante que quiera comenzar a trabajar con/en la UIBCDF. Si has caído aquí por otro motivo y este material te es útil, eres más que bienvenido a usarlo e interaccionar con nosotros.

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