• Scigress
    Scigress, stylised SCiGRESS, is a software suite designed for molecular modeling, computational and experimental chemistry, drug design, and materials...
    4 KB (238 words) - 23:52, 10 July 2024
  • Thumbnail for Simplified molecular-input line-entry system
    Simplified molecular-input line-entry system
    GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
    32 KB (3,624 words) - 19:03, 12 January 2024
  • List of quantum chemistry and solid-state physics software
    Un­known SAMSON Free C++, Python Un­known Un­known No Un­known Un­known Scigress Commercial C++, C, Java, Fortran Un­known Un­known No Un­known Un­known...
    27 KB (510 words) - 12:46, 17 July 2024
  • RDKit
    GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
    2 KB (71 words) - 13:59, 20 March 2024
  • Comparison of software for molecular mechanics modeling
    architecture, modules termed SAMSON Elements Proprietary, gratis SAMSON Connect Scigress Yes Yes Yes Yes No No Yes Yes No MM, DFT, semiempirical methods, parallel...
    18 KB (379 words) - 21:02, 1 April 2024
  • Glide (docking)
    GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
    2 KB (167 words) - 08:31, 12 August 2023
  • Molecular design software
    materials, etc.); modular architecture, modules are termed Elements; free Scigress Yes Yes Yes No Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes General purpose...
    7 KB (243 words) - 21:36, 4 February 2024
  • List of molecular graphics systems
    OpenRasMol". Retrieved 24 September 2009. SAMSON Connect Scigress commercial license "Scigress". fqs.pl. 12 September 2014. Spartan webpage Spartan Tutorial...
    15 KB (659 words) - 03:36, 3 December 2023
  • List of Fujitsu products
    Interstage, Systemwalker, Symfoware Server, Glovia G2, Glovia On Demand, SCIGRESS Services Consulting, Customer support, Education Services, Managed Services...
    4 KB (63 words) - 11:10, 26 July 2023
  • Thumbnail for List of software for nanostructures modeling
    List of software for nanostructures modeling
    dynamics code SAMSON: interactive carbon nanotube modeling and simulation Scigress TubeASP Tubegen Wrapping Science portal Technology portal List of quantum...
    7 KB (619 words) - 11:53, 31 May 2024
  • ZINDO
    available, but the method is implemented in ORCA, in part, in Gaussian, and in SCIGRESS. To obtain good results, it is frequently necessary to fit the parameters...
    2 KB (305 words) - 22:11, 15 July 2022