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1. my-recommended-sources my-recommended-sources Public

   This repo only contains python talks that I have seen and somehow I recommend, either as a basic python knowledge, advanced/detailed, or simply amusing talks. It also contains references to Blogs I…

   3

2. maserasgroup-repo/pyssian maserasgroup-repo/pyssian Public

   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.

   Python 19

3. maserasgroup-repo/pyssian-utils maserasgroup-repo/pyssian-utils Public

   A set of tools developed with pyssian (https://github.com/maserasgroup-repo/pyssian) to automate some tasks related with Gaussian files.

   Python 4

4. pykinetic pykinetic Public

   Pykinetic is a project that aims to facilitate the automation and generation of kinetic and microkinetic models. Pykinetic acts as an intermediate layer between the user and the mathematical model …

   Python 11 1

5. xyzparser xyzparser Public

   A lightweight package of two classes for simple parsing of unimolecular and multimolecular chemical xyz files.

   Python