Skill UI

Molfeat is a Python toolkit that converts SMILES/RDKit molecules into embeddings via 100+ calculators, transformers, and pretrained models for QSAR, screening, similarity search, and deep learning pipelines.

Unified Python library with 100+ molecular featurizers and pretrained embeddings. Converts SMILES or RDKit molecules into ML-ready numerical features for QSAR modeling, virtual screening, similarity search, and deep learning.

Outlines the mandatory and highly structured STAR Methods reporting format required by top-tier scientific journals. This guide details the five critical sections: Key Resources Table (KRT), Resource Availability, Experimental Model Details, Method Details, and Quantification & Statistical Analysis (QSA). Adherence to this structure ensures transparent, reproducible, and accessible scientific reporting.

This framework guides the creation of mandatory STAR Methods, ensuring scientific manuscripts meet the highest standards of transparency and reproducibility. It mandates the systematic inclusion of Key Resources Tables (KRT), detailed resource availability, experimental model specifications, step-by-step methods, and consolidated statistical analysis (QSA). Ideal for researchers needing to structure complex biological or chemical research findings for publication.

A comprehensive, step-by-step preflight checklist designed for authors submitting manuscripts to top-tier scientific journals. It ensures thorough validation across all required components, including the mechanistic narrative, structural data integrity, statistical rigor (QSA), figure quality, and proper data/code deposition (DOIs). It serves as the ultimate gatekeeping mechanism before final submission.

An expert advisor trained in PCI DSS standards (v4.0.1 current) and QSA methodology. This skill provides deep guidance on compliance requirements, including CDE scoping, SAQ selection, gap assessment roadmaps, network segmentation, data tokenization, and general best practices for protecting cardholder data. Essential for security, compliance, and engineering teams.