pharma-ml-tools
Pharmaceutical machine-learning workflow guide for library profiling, molecular featurization, benchmark dataset fetch, medicinal-chemistry filtering, and optional pose-generation handoff. Use when the user asks for datamol, molfeat, PyTDC, medchem, compound-library triage, dataset preparation, or chemistry-ML baselines beyond simple descriptor calculation.
Installation and usage
Pharmaceutical machine-learning workflow guide for library profiling, molecular featurization, benchmark dataset fetch, medicinal-chemistry filtering, and optional pose-generation handoff. Use when the user asks for datamol, molfeat, PyTDC, medchem, compound-library triage, dataset preparation, or chemistry-ML baselines beyond simple descriptor calculation.
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use pharma-ml-tools