José Pereira's repositories
rosetta-scripts
Some Rosetta Scripts that allow for various simple tasks
ProtoSyn-use-cases
A repository to complex use cases examples of ProtoSyn.jl
utility_scripts
A repository of usefull Python scripts for the subject of protein folding prediction
CarbGen.py
CarbGen is a molecular file generator for carbon materials
awesome-github-profile-readme-templates
This repository contains best profile readme's for your reference.
carbon
Script repository on the subject of "Computational optimization of bio-adsorbents for the removal of pharmaceuticals from water"
cell-orientation-identificator
This simple script allows the user to obtain both a .png file showing the identified cells and their oval orientations, as well as a .png graph with the polar histogram of the orientations of all cells in the provided input file.
photocatalytic_degradation
A companion tool for analysis of photocatalytic degradations studies in VOC-72M gas analyser or similar equipement.
zalign.py
Implementation of the Kabsch algorithm in Python for 3D structural alignment/RMSD calculation. Can read/write files in .pdb, .gro and .xyz formats.
JosePereiraUA
JosePereiraUA's personal profile
ONNX.jl
Read ONNX graphs in Julia
pyprotosyn-classes
Base package for the lecturing of LVCC module on "Computational Design of Proteins" @ Universidade de Aveiro, Portugal.