HumanOsv/IA_APL_NRC9013

Stars
1
Language
Created about 1 year ago
Updated about 1 year ago

HumanOsv/IA_APL_NRC9013

HumanOsv

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

El curso tiene una formación teorico-práctica que enseña cómo utilizar técnicas y herramientas de IA en aplicaciones del mundo real.

Automaton

AUTOMATON: A novel program for the search of global minimum structures of atomic clusters and molecules in the gas phase.

Kick-Fukui

A novel program for the search of global minimum structures of atomic clusters and molecules in the gas phase, using as a Coulomb interaction between Fukui functions-based method.

TallerDS_1

Es un taller enfocado a la introducción de Colab-python

Jupyter Notebook

TAFF

Pipeline Software for Topological Analysis of Fukui Function

VMD_scripts

GSCheckDuplicates

The comparison between two structures is based on the cartesian coords.

NICSall

A software to analyze induced magnetic fields, chemical shielding, NICS and related properties.

SnippetKick

The SnippetKick algorithm combines local with global search for molecules