About: Comparison of software for molecular mechanics modeling

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This is a list of computer programs that are predominantly used for molecular mechanics calculations. * GPU – GPU accelerated * I – Has interface * Imp – Implicit water * MC – Monte Carlo * MD – Molecular dynamics * Min – Optimization * QM – Quantum mechanics * REM – Replica exchange method

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  • This is a list of computer programs that are predominantly used for molecular mechanics calculations. * GPU – GPU accelerated * I – Has interface * Imp – Implicit water * MC – Monte Carlo * MD – Molecular dynamics * Min – Optimization * QM – Quantum mechanics * REM – Replica exchange method (en)
  • 本項では主に分子力学法または分子動力学法の計算に用いられるプログラムの一覧を示す。 * GPU – GPUが利用可能 * I – インターフェースのみ * Imp – 水の陰溶媒 * MC – モンテカルロ法 * MD – 分子動力学 * Min – 構造最適化 * QM – 量子力学的手法 * REM – レプリカ交換法 (ja)
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  • This is a list of computer programs that are predominantly used for molecular mechanics calculations. * GPU – GPU accelerated * I – Has interface * Imp – Implicit water * MC – Monte Carlo * MD – Molecular dynamics * Min – Optimization * QM – Quantum mechanics * REM – Replica exchange method (en)
  • 本項では主に分子力学法または分子動力学法の計算に用いられるプログラムの一覧を示す。 * GPU – GPUが利用可能 * I – インターフェースのみ * Imp – 水の陰溶媒 * MC – モンテカルロ法 * MD – 分子動力学 * Min – 構造最適化 * QM – 量子力学的手法 * REM – レプリカ交換法 (ja)
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  • Comparison of software for molecular mechanics modeling (en)
  • 分子力学モデリング用ソフトの比較 (ja)
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