rowan
Rowan is a cloud-based computational chemistry platform providing quantum chemistry calculations via a Python SDK. Use it to run geometry optimization, conformer generation, torsional scans, and energy minimization with DFT or semiempirical methods, and retrieve molecular properties (dipole moment, partial charges, frontier orbital energies) — without managing local quantum chemistry software or HPC clusters.
Installation and usage
Rowan is a cloud-based computational chemistry platform providing quantum chemistry calculations via a Python SDK. Use it to run geometry optimization, conformer generation, torsional scans, and energy minimization with DFT or semiempirical methods, and retrieve molecular properties (dipole moment, partial charges, frontier orbital energies) — without managing local quantum chemistry software or HPC clusters.
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use rowan