DIEGO ENRY GOMES (diegoenry)

diegoenry

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Company:Auburn University

Location:Auburn, AL

Twitter:@EnryDiego

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DIEGO ENRY GOMES's starred repositories

opengl_examples

Collection of examples for OpenGL: Perlin noise, ambient occlusion, shadow mapping, water reflection and others

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openmm-torch

OpenMM plugin to define forces with neural networks

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torchmd

End-To-End Molecular Dynamics (MD) Engine using PyTorch

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Python

All Algorithms implemented in Python

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Data-Science-Interview-Preperation-Resources

Resoruce to help you to prepare for your comming data science interviews

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best-of-ml-python

🏆 A ranked list of awesome machine learning Python libraries. Updated weekly.

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Awesome-Data-Science-Resoruces

A curated list of data science educational resources for essential data science skills

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pdbtools

A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files

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Cheminformatics-Teaching-Material

Resources, Code, and Other things I use to teach Cheminformatics.

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F1sherKK-MyRoadToAI

Repository for storing and tracking my self-study progress.

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CaFE_Plugin

a VMD plugin for binding affinity prediction using end-point free energy methods

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DLSCORE

DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity

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quimioteca

Quimioteca nacional

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basic_simulation_training

A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some training itself and linking out to other helpful information elsewhere. The intent is that this provide information on the prerequisites which will be required for understanding/following many of the other "best practices" documents being prepared.

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basic_simulation_training

A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some training itself and linking out to other helpful information elsewhere. The intent is that this provide information on the prerequisites which will be required for understanding/following many of the other "best practices" documents being prepared.

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gaussian-tools

Useful tools written for Gaussian (an electronic structure program for computational chemistry)

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todo-bash

super-simple command-line todo tracking

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