Use when designing or evaluating generative models for de novo drug/molecule design. Covers molecular generation theory and evaluation (MOSES/GuacaMol), SELFIES + language models, RL-based optimization with REINVENT 4, JT-VAE and graph-based generation, and structure-based 3D generation (DiffSBDD, Pocket2Mol, DiffLinker).
How to install generative-design?
kdevos12/alkyl/generative-design
$npx -y skills add kdevos12/alkyl --skill generative-designInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/kdevos12/alkyl" --skill "kdevos12/alkyl/generative-design"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/kdevos12/alkyl" that are relevant to the current task. Run `npx skills add "https://github.com/kdevos12/alkyl"` and select the relevant skills, then follow their instructions.
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