DIEGO ENRY GOMES's repositories
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.
EMMSB_2018_DM
Dinamica Molecular parar a EMMSB 2018
afraid-to-commit
Don't be afraid to commit - a workshop/tutorial for inexperienced Python/Django developers who would like to contribute more to the projects they use.
benchmarksets
Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
bioinformatics
My bioinformatics scripts
CHARMMSCRIPTS
My favorite Chemistry at HARvard Macromolecular Mechanics (CHARMM) scripts
chemflowdocs
ChemFlow Documentation
CompChemTutorials
Tutorials in Computational Chemistry
DeepLearning
NeverTooLateToStart
diegoenry.github.io
Molecular Modeling Tutorials
EletroGrid
Calcula o potencial eletrostático em uma carga de prova, pela lei de Coulomb, em uma rede de pontos no espaço no entorno de uma molécula
FORTRAN
Hardcore (simple) programming
GAMINI
A genetic algorithm minimizer for Protein Structures using linear combination of Normal Modes
GANMDOCK
Genetic Algorithm Normal Modes Docking for Protein-Protein Complexes
MetroChem
Reference code for MetroChem
notebooks
Playing around with Jupyter Notebooks
py4chemoinformatics
Python for chemoinformatics
PYTHON
Python (mostly for plotting stuff)
QwikFold2
Protein Folding plugin for VMD
SARS-CoV-MLScore
A Machine Learning Scoring Function for SARS-CoV-2 Main Protease
vmdrendering
VMD rendering article