The electronic structure package for quantum computers
Paddle Quantum
Simulate chemical processes using advanced thermodynamic models
Chemical structures database & machine learning with web services API
Simulation tool for electrochemical / electroplating parameters
data analysis and Visualization with matplotlib
Open-source online virtual screening tools for large databases
Battery Life Saver can extend the life span of laptop batteries.
Analysis of Raman spectra and spectroscopy data.
An Open Source "product catalogue" that is customizable and versatile.
Visualization of wavefunctions calculated by VASP (New release: v0.41)
user-friendly access to the latest computational spectroscopy tools
MALDI-TOF data analysis tool
a Toolset for Molecular Mechanical Force Field Parameterization
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)