「分子力学モデリング用ソフトの比較」の版間の差分

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{| class="wikitable sortable"

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! GPU

! ライセンス

|-

| {{仮リンク|Abalone (分子力学)|en|Abalone (molecular mechanics)|label=Abalone}}

| {{yes}}

| {{proprietary}} 無償

|-

| Acellera Ltd ACEMD<ref>{{cite journal |author= M. J. Harvey, G. Giupponi and G. De Fabritiis |title= ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale |journal= Journal of Chemical Theory and Computation |pages=1632–1639 |volume= 5 |year=2009 |doi=10.1021/ct9000685 |issue=6}}</ref>

| {{yes}}

| {{proprietary}} 無償版と商用版がある

|-

| [[Amsterdam Density Functional|ADF]]

| {{yes}}

| {{proprietary}} 無償試用版あり

|-

| ADUN<ref>{{cite journal |author=Johnston, MA, Fernández-Galván, I, Villà-Freixa, J |title=Framework-based design of a new all-purpose molecular simulation application: the Adun simulator |journal= J. Comp. Chem. |volume=26 |pages=1647–1659 |year=2005 |doi=10.1002/jcc.20312 |pmid=16175583 |issue=15}}</ref>

| {{yes}}

| {{free}} [[GNU General Public License|GNU GPL]]

|-

| [[AMBER]]<ref>{{cite journal |vauthors=Cornell WD, Cieplak P, Bayly CI, Gould IR, ((Merz KM Jr)), Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA |title=A second generation force field for the simulation of proteins, nucleic acids, and organic molecules |journal= J. Am. Chem. Soc. |volume=117 |issue=19 | pages=5179–5197 |year=1995 |doi=10.1021/ja00124a002}}</ref>

| {{yes}}

| {{proprietary}}

|-

| {{仮リンク|Ascalaph Designer|en|Ascalaph Designer}}

| {{yes}}

| {{partial|[[GNU General Public License|GNU GPL]]と商用の混合ライセンス}}

|-

| ATB

| {{no}}

| {{proprietary}} 商用 教育研究用は無償

|-

| [[Avogadro]]

| {{no}}

| {{free}} [[GNU General Public License|GNU GPL]]

|-

| {{仮リンク|BOSS (ソフトウェア)|en|BOSS (molecular mechanics)|label=BOSS}}

| {{no}}

| {{proprietary}}

|-

| [[CHARMM]]

| {{yes}}

| {{proprietary}}, 商用

|-

| {{仮リンク|CHEMKIN|en|CHEMKIN}}

| {{no}}

| {{proprietary}}

|-

| COSMOS

| {{no}}

| {{proprietary}}、商用 (GUIのない無償版あり)

|-

| {{仮リンク|CP2K|en|CP2K}}

| {{yes}}

| {{free}} [[GNU General Public License#Version 2|GNU GPLv2]] or later

|-

| Culgi

| {{no}}

| {{proprietary}}

|-

| {{仮リンク|Desmond (ソフトウェア)|en|Desmond (software)|label=Desmond}}

| {{yes}}

| {{proprietary}} 無償版と商用版がある

|-

| {{仮リンク|Discovery Studio|en|Discovery Studio}}

| {{no}}

| {{proprietary}} 試用版あり

|-

| ENCAD

| {{no}}

| {{free}} オープンソース

|-

| [[foldit|fold.it]]

| {{no}}

| {{proprietary}} 無償版と商用版がある

|-

| {{仮リンク|FoldX|en|FoldX}}

| {{no}}

| {{proprietary}} 無償版と商用版がある

|-

| GPIUTMD

| {{yes}}

| {{proprietary}}

|-

| [[GROMACS]]

| {{yes}}

| {{free}} [[GNU General Public License|GNU GPL]]

|-

| [[GROMOS]]

| {{yes}}

| {{proprietary}} 商用

|-

| GULP

| {{no}}

| {{proprietary}} 教育研究用は無償

|-

| HOOMD-blue

| {{yes}}

| {{free}} オープンソース

|-

|[http://www.molfunction.com/jp/hyperchem-site.htm HyperChem]

| {{no}}

| {{proprietary}} 商用　フル機能評価版あり

|-

| ICM

| {{no}}

| {{proprietary}}

|-

| {{仮リンク|LAMMPS|en|LAMMPS}}

| {{yes}}

| {{free}} [[GNU General Public License#Version 2|GNU GPLv2]]

|-

| {{仮リンク|MacroModel|en|MacroModel}}

| {{no}}

| {{proprietary}}

|-

| MAPS

| {{yes}}

| {{proprietary}} 試用版あり

|-

| {{仮リンク|Materials Studio|en|Materials Studio}}

| {{yes}}

| {{proprietary}} 試用版あり

|-

| MedeA

| {{no}}

| {{proprietary}} 試用版あり

|-

| MCCCS Towhee

| {{no}}

| {{free}} [[GNU General Public License|GNU GPL]]

|-

| {{仮リンク|MDynaMix|en|MDynaMix}}

| {{no}}

| {{free}} [[GNU General Public License|GNU GPL]]

|-

| {{仮リンク|Molecular_Operating_Environment|en|Molecular Operating Environment|label=MOE}}

| {{no}}

| {{proprietary}}

|-

| MOIL

| {{no}}

| {{free}} オープンソース

|-

| {{仮リンク|Orac (分子動力学)|en|Orac (MD program)|label=Orac}}

| {{no}}

| {{free}} オープンソース

|-

| NAB<ref>{{cite journal |vauthors=Macke T, Case DA |title= Modeling unusual nucleic acid structures |journal= Molecular Modeling of Nucleic Acids |pages=379–393 |year=1998}}</ref>

| {{no}}

| {{free}} オープンソース

|-

| [[NAMD]] + [[Visual Molecular Dynamics|VMD]]

| {{yes}}

| {{proprietary}} 教育研究用は無償

|-

| {{仮リンク|NWChem|en|NWChem}}

| {{no}}

| {{free}} EDL v2.0

|-

| Packmol

| {{no}}

| {{free}} [[GNU General Public License|GNU GPL]]

|-

| Prime

| {{no}}

| {{proprietary}}

|-

| {{仮リンク|Protein Local Optimization Program|en|Protein Local Optimization Program}}

| {{no}}

| {{proprietary}}

|-

| {{仮リンク|Q (ソフトウェア)|en|Q (software)|label=Q}}

| {{no}}

| {{unknown}}

|-

| RedMD<ref>{{cite journal |author1=A. Górecki |author2=M. Szypowski |author3=M. Długosz |author4=J. Trylska |

| {{no}}

| {{free}} [[GNU General Public License|GNU GPL]]

|-

| {{仮リンク|SAMSON (ソフトウェア)|en|SAMSON|label=SAMSON}}

| {{no}}

| {{proprietary}} 無償

|-

| StruMM3D (STR3DI32)

| {{no}}

| {{proprietary}} 無償版あり(200原子まで)

|-

| {{仮リンク|Scigress|en|Scigress}}

| {{no}}

| {{proprietary}}

|-

| {{仮リンク|Spartan (ソフトウェア)|en|Spartan (software)|label=Spartan}}

| {{no}}

| {{proprietary}} 無償試用版あり

|-

| {{仮リンク|TeraChem|en|TeraChem}}

| {{yes}}

| {{proprietary}} 試用版あり

|-

| {{仮リンク|TINKER|en|TINKER}}

| {{no}}

| {{proprietary}} 無償

|-

| {{仮リンク|Tremolo-X|en|Tremolo-X}}

| {{no}}

| {{proprietary}}

|-

| {{仮リンク|UCSF Chimera|en|UCSF Chimera}}

| {{no}}

| {{proprietary}} 教育研究用は無償

|-

| VEGA ZZ

| {{yes}}

| {{proprietary}} 教育研究用は無償

|-

| VLifeMDS

| {{yes}}

| {{proprietary}}

|-

| WHAT IF

| {{no}}

| {{proprietary}}

|-

| {{仮リンク|YASARA|en|YASARA}}

| {{yes}}

| {{proprietary}}

|}