Showing entries 1-25 out of 25.
Software for biomolecular electrostatics and solvation calculations
One of the fastest and most widely used open-source docking engines
Molecule editor and visualizer
Draw chemical structures
Quantum chemistry and solid state physics program
D-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations
Arbitrary-order scalar-relativistic Douglas-Kroll-Hess module
The periodic table on the command line
Quantum chemistry program for large-scale self-consistent field calculations
Scanning probe microscopy data visualization and analysis
A Java 3D viewer for chemical structures
A chemical modelling, analysis and structure drawing program
Display and manipulate molecular structures
Semiempirical quantum chemistry
Open Source High-Performance Computational Chemistry
Real-space time dependent density-functional theory code
Advanced quantum chemistry software package
A Python-enhanced molecular graphics tool
One of the fastest and most widely used open-source docking engines
One of the fastest and most widely used open-source docking engines
quantum-espressoquantum-espresso
Electronic-structure calculations and materials modeling at the nanoscale
quantum-espressoquantum-espresso-mpi
Electronic-structure calculations and materials modeling at the nanoscale
siestasiesta
A first-principles materials simulation code using DFT
siestasiesta-mpi
A first-principles materials simulation code using DFT
Graphical user interface for GAMESS-US