published Published over 2 years ago
pyCADMium: Chemical Atoms in Diatomic Molecules. A prolate spheroidal Python module for embedding calculations
Python
published Published over 2 years ago
SpmImage Tycoon: Organize and analyze scanning probe microscopy data
AutoHotkey
published Published over 2 years ago
`pygetpapers`: a Python library for automated retrieval of scientific literature
Python Jupyter Notebook
published Published over 2 years ago
Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions
Fortran
published Published over 2 years ago
PsiRESP: calculating RESP charges with Psi4
Python Jupyter Notebook
published Published over 2 years ago
AixCaliBuHA: Automated calibration of building and HVAC systems
Python Jupyter Notebook
published Published over 2 years ago
portalcasting: Supporting automated forecasting of rodent populations
R
published Published over 2 years ago
Hardware-Control: Instrument control and automation package
Python
published Published almost 3 years ago