Maseras Group

Computational Homogeneous Catalysis group at ICIQ (Institut Català d'Investigació Química), Tarragona, Spain.

Pinned Repositories

bdeapp
A React app to calculate Bond Dissociation Energies
Language:JavaScript50
pyssian
Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of computational chemists using Gaussian.
Language:Python17 2 190
pyssian-utils
A set of tools developed with pyssian (https://github.com/maserasgroup-repo/pyssian) to automate some tasks related with Gaussian files.
Language:Python4 2 50
sn2app
Application for deriving hidden descriptors for nucleophiles: entering and leaving groups.
Language:JavaScript0 0 00

maserasgroup-repo/pyssian
Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of computational chemists using Gaussian.
Language:Python17 2 190
maserasgroup-repo/bdeapp
A React app to calculate Bond Dissociation Energies
Language:JavaScript50
maserasgroup-repo/pyssian-utils
A set of tools developed with pyssian (https://github.com/maserasgroup-repo/pyssian) to automate some tasks related with Gaussian files.
Language:Python4 2 50
maserasgroup-repo/sn2app
Application for deriving hidden descriptors for nucleophiles: entering and leaving groups.
Language:JavaScript0 0 00