Results for “pysam”

pytest - Python's most powerful testing framework with fixtures, parametrization, plugins, and framework integration for FastAPI, Django, Flask

Pyright fast Python type checker from Microsoft with VS Code integration and strict type checking modes

Dense, machine-readable API reference for PyFixest — high-dimensional fixed-effects OLS/WLS/IV and Poisson (feols, fepois, feglm), clustered/robust standard errors, R-style formula syntax, and post-estimation. Use when writing or debugging Python fixed-effects regressions with the pyfixest package.

Query PubChem via the PUG-REST API and PubChemPy across 110M+ compounds, searching by name, CID, or SMILES and retrieving molecular properties, bioactivity, and similarity/substructure matches. Use when looking up a chemical compound, converting names/SMILES to CIDs, fetching physicochemical properties, or running cheminformatics structure searches. Part of the AlterLab Academic Skills suite.

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.