admet-prediction
bygptomics· 59 skills
Predicts ADMET properties using ADMETlab 3.0 (119 platform features, including 77 prediction models with modeled-endpoint uncertainty), ADMET-AI, DeepChem MolNet, and chemprop D-MPNN with explicit handling of OECD QSAR principles, applicability domain assessment, calibration, hERG/CYP/AMES endpoints, and PAINS / Lipinski / Ro5 / Veber / BBB druglikeness filters. Use when filtering compounds for drug-likeness, prioritizing leads by predicted safety, or building an in-house ADMET QSAR model.
How to install admet-prediction?
gptomics/bioskills/admet-prediction
$npx -y skills add gptomics/bioskills --skill admet-predictionInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/gptomics/bioskills" --skill "gptomics/bioskills/admet-prediction"` 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/gptomics/bioskills" that are relevant to the current task. Run `npx skills add "https://github.com/gptomics/bioskills"` and select the relevant skills, then follow their instructions.
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