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.
Once installed, you can use this skill by running the following command in your terminal:
skills use rowan