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Projects in Awesome Lists by TinacciL

A curated list of projects in awesome lists by TinacciL .

https://github.com/tinaccil/isomers_generator

Python code for generate all the possible molecules starting from a chemical formula

chemistry chemoinformatics isomers reaction-networks

Last synced: 11 Nov 2024

https://github.com/tinaccil/fortranthermostats

Molecule thermostatistics properties code in Fortran90

chemoinformatics molecule thermodynamics

Last synced: 19 Dec 2024

https://github.com/tinaccil/connectivity_chemical_graph

Python script that permits to encode molecules as molecular graph and compare easily the connectivity of two molecules

chemical-graph encode-molecules isomorphism

Last synced: 11 Nov 2024

https://github.com/tinaccil/querykidadatabase

This is a program to query and extract all the species info, inside KIDA database.

astrochemistry database reaction-network

Last synced: 11 Nov 2024

https://github.com/tinaccil/fromgraphtoxyz

Script to help in the creation of molecules xyz file from molecular graph (i.e. only connectivity).

Last synced: 11 Nov 2024

https://github.com/tinaccil/queryastrowoondatabase

Query Woon-Herbst moleculues-properties database

astrochemistry beatifulsoup databases quantum-chemistry

Last synced: 11 Nov 2024

https://github.com/tinaccil/jmol_be_nh3_visualization

HTML webpage with the Jmol applet in order to display all the ammonia BEs on icy grain. To see it go to: https://tinaccil.github.io/Jmol_BE_NH3_visualization/

Last synced: 11 Nov 2024

https://github.com/tinaccil/jmol_cation_visualization

HTML webpage with the Jmol applet in order to display all the ISM cations. To see it go to: https://tinaccil.github.io/Jmol_cation_visualization/

Last synced: 11 Nov 2024

https://github.com/tinaccil/jmol_be_prefactor_visualization

HTML webpage with the Jmol applet in order to display all the samples. To see it go to: https://tinaccil.github.io/Jmol_BE_prefactor_visualization/

Last synced: 11 Nov 2024

https://github.com/tinaccil/gretobape_cleaning

Cleaning Astrochemical Reaction network via Thermodynamics principles

astrochemistry chemoinformatics graph networks quantum-chemistry reaction-network

Last synced: 11 Nov 2024

https://github.com/tinaccil/jmol_be_h2o_visualization

HTML webpage with the Jmol applet in order to display all the water BEs on icy grain. To see it go to: https://tinaccil.github.io/Jmol_BE_H2O_visualization/

Last synced: 11 Nov 2024

https://github.com/tinaccil/jmol_be_ch3oh_visualization

HTML webpage with the Jmol applet in order to display all the methanol BEs on icy grain. To see it go to: https://tinaccil.github.io/Jmol_BE_CH3OH_visualization/

Last synced: 11 Nov 2024