11 projects
GaussParse
GaussParse is a python package to parse Gaussian output files.
PyMolinfo
PyMolinfo provides comprehensive molecular information and analysis.
PyThermoDB
PyThermoDB is a lightweight and user-friendly Python package designed to provide quick access to essential thermodynamic data.
PyThermoLinkDB
PyThermoLinkDB is a Python package providing a robust and efficient interface between `PyThermoDB` and other applications.
PyThermoModels
A Python package designed for the calculation of thermodynamic properties using various well-established models.
PyCUC
PyCUC: A lightweight Python package for creating custom unit conversions.
Molinfo
Molinfo provides comprehensive molecular information and analysis.
MolVizr3D
MolVizr3D: Molecular Visualizer in 3D.
PubChemQuery
A Python Package for Accessing Chemical Information from PubChem (https://pubchem.ncbi.nlm.nih.gov/).
PyCTPM
Python Chemical Thermodynamics for Process Modeling (PyCTPM)
PyREMOT
Python Reactor Modeling Tools (PyREMOT)
