Software for molecular simulations and trajectory analysis
Time-dependent simulation of open and closed quantum systems
Large-scale Atomic/Molecular Massively Parallel Simulator
Toxicity prediction for chemical compounds
An intuitive molecular editor and visualization tool
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
An extensible GUI for computational chemistry codes
adLIMS: a Laboratory Information Management System with ADempiere
A toolkit for developing and deploying protein structure algorithms.