Perform quantum chemistry and molecular modeling calculations through a Python API.
npx skills add https://github.com/felixboehm/biochem-allergy --skill rowan-felixboehm
Please help me install this Agent Skill. Skill: rowan Source: https://github.com/felixboehm/biochem-allergy/tree/main/.claude/skills/rowan Command: npx skills add https://github.com/felixboehm/biochem-allergy --skill rowan-felixboehm
This Skill provides cloud-based access to advanced quantum chemistry and molecular modeling tools, eliminating the need for local high-performance computing resources and complex software installations.
Use the rowan skill to calculate the pKa of the molecule represented by the SMILES string 'c1ccccc1O'.
High-intent search queries and answers about installing and using this skill.
Predict the pKa of a molecule by submitting a SMILES string to a cloud-based quantum chemistry Python API. This approach eliminates local software installations, returning predicted pKa values and molecular properties within minutes.
Run quantum chemistry calculations without local high-performance computing by utilizing a cloud-based API. This service handles DFT, semiempirical, and AI-driven computational chemistry tasks, removing the need for complex local software environments.
Perform protein-ligand docking and AI protein cofolding by sending molecular data through a cloud Python API. This service predicts binding modes and generates protein structures without requiring local computational chemistry installations.
Cloud quantum chemistry works seamlessly with RDKit for molecular modeling. The Python API utilizes RDKit and stjames libraries for molecular manipulation, enabling conformer searching and geometry optimization directly from your scripts.
An API key is required for authentication to submit computational chemistry calculations. You must configure this key within your Python script to access cloud-based quantum chemistry features like geometry optimization and redox potential prediction.
Calculate molecular properties like solubility and redox potentials through a cloud quantum chemistry API. Submitting SMILES strings via Python provides rapid AI-driven predictions, bypassing the need for local high-performance computing resources.
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