]> 2026-08-09T04:01:08+00:00 Computational chemistry software 14 en Computational chemistry software Chemistry Development Kit 0 en Chemistry Development Kit ICM-Browser 0 en ICM-Browser Visual Molecular Dynamics 0 en Visual Molecular Dynamics ViewMol3D 0 en ViewMol3D Molden 0 en Molden JOELib 0 en JOELib OpenBabel 0 en OpenBabel OELib 0 en OELib JME Molecule Editor 0 en JME Molecule Editor MPQC 0 en MPQC GAUSSIAN 0 en GAUSSIAN Ghemical 0 en Ghemical CHEMKIN 0 en CHEMKIN PSI (computational chemistry) 0 en PSI (computational chemistry) NWChem 0 en NWChem MOLPRO 0 en MOLPRO ACES (computational chemistry) 0 en ACES (computational chemistry) MOPAC 0 en MOPAC COSILAB 0 en COSILAB MOLCAS 0 en MOLCAS TURBOMOLE 0 en TURBOMOLE AMPAC 0 en AMPAC CRYSTAL 0 en CRYSTAL PQS (chemical) 0 en PQS (chemical) COLUMBUS 0 en COLUMBUS Amsterdam Density Functional 0 en Amsterdam Density Functional Valence bond codes 0 en Valence bond codes CADPAC 0 en CADPAC PLATO (computational chemistry) 0 en PLATO (computational chemistry) GAMESS (US) 0 en GAMESS (US) GAMESS (UK) 0 en GAMESS (UK) Internal Coordinate Mechanics 0 en Internal Coordinate Mechanics Chemical file format 0 en Chemical file format Atomistix 0 en Atomistix Gabedit 0 en Gabedit Q-Chem 0 en Q-Chem SYBYL 0 en SYBYL Cclib 0 en Cclib Car-Parrinello Molecular Dynamics 0 en Car-Parrinello Molecular Dynamics JAGUAR 0 en JAGUAR Octopus (software) 0 en Octopus (software) Vienna Ab-initio Simulation Package 0 en Vienna Ab-initio Simulation Package SIESTA (computer program) 0 en SIESTA (computer program) WIEN2k 0 en WIEN2k PWscf 0 en PWscf EXCITING 0 en EXCITING CASTEP 0 en CASTEP Atomistix Virtual NanoLab 0 en Atomistix Virtual NanoLab ABINIT 0 en ABINIT NanoLanguage 0 en NanoLanguage BALL 0 en BALL Software for molecular mechanics modeling 0 en Software for molecular mechanics modeling Quantum chemistry computer programs 0 en Quantum chemistry computer programs Atomistix ToolKit 0 en Atomistix ToolKit Dalton (program) 0 en Dalton (program) PC GAMESS 0 en PC GAMESS Molecular modelling software 14 en Molecular modelling software Molecular dynamics software 14 en Molecular dynamics software ABINIT 0 en ABINIT ACES (computational chemistry) 0 en ACES (computational chemistry) AMPAC 0 en AMPAC Amsterdam Density Functional 0 en Amsterdam Density Functional Atomistix 0 en Atomistix Atomistix ToolKit 0 en Atomistix ToolKit Atomistix Virtual NanoLab 0 en Atomistix Virtual NanoLab BALL 0 en BALL CADPAC 0 en CADPAC CASTEP 0 en CASTEP CHEMKIN 0 en CHEMKIN COLUMBUS 0 en COLUMBUS COSILAB 0 en COSILAB CRYSTAL 0 en CRYSTAL Car-Parrinello Molecular Dynamics 0 en Car-Parrinello Molecular Dynamics Cclib 0 en Cclib Chemical file format 0 en Chemical file format Chemistry Development Kit 0 en Chemistry Development Kit Dalton (program) 0 en Dalton (program) EXCITING 0 en EXCITING GAMESS (UK) 0 en GAMESS (UK) GAMESS (US) 0 en GAMESS (US) GAUSSIAN 0 en GAUSSIAN Gabedit 0 en Gabedit Ghemical 0 en Ghemical ICM-Browser 0 en ICM-Browser Internal Coordinate Mechanics 0 en Internal Coordinate Mechanics JAGUAR 0 en JAGUAR JME Molecule Editor 0 en JME Molecule Editor JOELib 0 en JOELib MOLCAS 0 en MOLCAS MOLPRO 0 en MOLPRO MOPAC 0 en MOPAC MPQC 0 en MPQC Molden 0 en Molden NWChem 0 en NWChem NanoLanguage 0 en NanoLanguage OELib 0 en OELib Octopus (software) 0 en Octopus (software) OpenBabel 0 en OpenBabel PC GAMESS 0 en PC GAMESS PLATO (computational chemistry) 0 en PLATO (computational chemistry) PQS (chemical) 0 en PQS (chemical) PSI (computational chemistry) 0 en PSI (computational chemistry) PWscf 0 en PWscf Q-Chem 0 en Q-Chem Quantum chemistry computer programs 0 en Quantum chemistry computer programs SIESTA (computer program) 0 en SIESTA (computer program) SYBYL 0 en SYBYL Software for molecular mechanics modeling 0 en Software for molecular mechanics modeling TURBOMOLE 0 en TURBOMOLE Valence bond codes 0 en Valence bond codes Vienna Ab-initio Simulation Package 0 en Vienna Ab-initio Simulation Package ViewMol3D 0 en ViewMol3D Visual Molecular Dynamics 0 en Visual Molecular Dynamics WIEN2k 0 en WIEN2k INST 102 en INST Subcategory of 102 en Subcategory of