Pinned Repositories
AirzoneCloud
Python3 library for main Airzone Cloud API
AlumniGADistribution
atom_config
My customized Atom config files
COVID_VS_analysis
Scripts to run and analyze PELE simulations for COVI virtual screening studies
GeneticAlgorithms
PELEAnalysis
Analysis scripts for PELE
peleffy
The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.
peleffy-benchmarks
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
TrailerController
Python project to display and control a trailer going backwards
martimunicoy's Repositories
martimunicoy/peleffy
The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.
martimunicoy/TrailerController
Python project to display and control a trailer going backwards
martimunicoy/GeneticAlgorithms
martimunicoy/PELEAnalysis
Analysis scripts for PELE
martimunicoy/AirzoneCloud
Python3 library for main Airzone Cloud API
martimunicoy/AlumniGADistribution
martimunicoy/atom_config
My customized Atom config files
martimunicoy/COVID_VS_analysis
Scripts to run and analyze PELE simulations for COVI virtual screening studies
martimunicoy/cv
My curriculum vitae
martimunicoy/Parallel-Programming-Course
A repository to share the training projects from Parallel Programming Course with group fellows and to receive feedback from other groups.
martimunicoy/peleffy-benchmarks
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
martimunicoy/demo
Demo Repository
martimunicoy/drug_learning
Open package with DL and ML tools for drug discovery. It is based in a 3 branch package: 2D-QSAR, 3D-QSAR, simulation+AI
martimunicoy/FEP_PELE
martimunicoy/IrrigationServer
martimunicoy/MazeSolver
A script that attempts to solve a maze
martimunicoy/MeetUpProject
The aim of this project is to find and visualize the events posted on Meetup. com in different cities in order to analyze the density of planned activities and to make a social study regarding most usual activities and interests.
martimunicoy/openforcefield
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
martimunicoy/Parallel-and-Distributed-Systems-Course
martimunicoy/PlopRotTemp
Extract forcefield parameters of a small molecule using OPLS2005
martimunicoy/prova
martimunicoy/pybestpractices
A collection of best practices, tips and tools for any Python project
martimunicoy/Raspberry-IrrigationProgram
Command-line interface that lets you manage and schedule an Irrigation Program.
martimunicoy/training_cicd
martimunicoy/WaterPELEAnalysis