sulfierry
Exploring the frontiers of knowledge through computational modeling.
Laboratório Nacional de Computação CientíficaRio de Janeiro, Brazil
Pinned Repositories
CoV-2
Obtaining protein sequences, building datasets, examining the effects of non-synonymous changes, and using multiple sequence alignment on the SARS-CoV-2 Spike protein.
adjust_partial_charge
Analyzing_degrees_of_DNA_methylation_with_machine_learning
Data_Structures
Repository dedicated to exploring data structures and algorithms.
free_energy_landscape
The Free Energy Landscape Analysis tool offers a comprehensive suite for analyzing and visualizing the free energy landscape derived from molecular dynamics simulations. It focuses on extracting critical insights from collective variable (CV) data, enabling researchers to understand the energetics and dynamics of molecular systems in depth.
loki
A comprehensive approach designed for the extraction, analysis, and prediction of kinase inhibitors, providing a suite of tools for data querying, post-processing, molecular descriptor calculation, and clustering analysis.
MolecularModeling
Comprehensive resource for molecular studies, featuring SQL scripts for ChEMBL database analysis and detailed molecular dynamics simulation protocols. Ideal for computational chemistry and drug discovery research.
torch_exploring
Diving into the PyTorch framework for tackling multi-class classification.
voxel_exploring
Constructing embedding voxels applied to three-dimensional protein modeling.
sulfierry's Repositories
sulfierry/free_energy_landscape
The Free Energy Landscape Analysis tool offers a comprehensive suite for analyzing and visualizing the free energy landscape derived from molecular dynamics simulations. It focuses on extracting critical insights from collective variable (CV) data, enabling researchers to understand the energetics and dynamics of molecular systems in depth.
sulfierry/MolecularModeling
Comprehensive resource for molecular studies, featuring SQL scripts for ChEMBL database analysis and detailed molecular dynamics simulation protocols. Ideal for computational chemistry and drug discovery research.
sulfierry/torch_exploring
Diving into the PyTorch framework for tackling multi-class classification.
sulfierry/voxel_exploring
Constructing embedding voxels applied to three-dimensional protein modeling.
sulfierry/adjust_partial_charge
sulfierry/Analyzing_degrees_of_DNA_methylation_with_machine_learning
sulfierry/Data_Structures
Repository dedicated to exploring data structures and algorithms.
sulfierry/Fortran_manipulation
Fortran utility to identify and validate mathematical sequences from binary files. Supports Natural, Triangular, Quadratic, Pentagonal, and Fibonacci sequences.
sulfierry/loki
A comprehensive approach designed for the extraction, analysis, and prediction of kinase inhibitors, providing a suite of tools for data querying, post-processing, molecular descriptor calculation, and clustering analysis.
sulfierry/sulfierry
sulfierry/Transcriptomic_analysis
sulfierry/docktgrid
Create customized voxel representations of protein-ligand complexes using GPU.