Topic :: Scientific/Engineering :: Chemistry
Bayesian methods for analytical relationships
Topic :: Scientific/Engineering :: Chemistry
Uncertainty quantification for neural network models of chemical systems.
Topic :: Scientific/Engineering :: Chemistry
Tools for units SI.
Topic :: Scientific/Engineering :: Chemistry
numeric mimic classes with units
Topic :: Scientific/Engineering :: Chemistry
A Python Library for doing Scientific/Engineering mathematics
Topic :: Scientific/Engineering :: Chemistry
The umbrella integration algorithm.
Topic :: Scientific/Engineering :: Chemistry
Python implementation of the spectrophore descriptor
Topic :: Scientific/Engineering :: Chemistry
Python implementation of the QED descriptor (Quantitative Estimation of Druglikeness)
Topic :: Scientific/Engineering :: Chemistry
Time-lagged t-SNE of molecular trajectories
Topic :: Scientific/Engineering :: Chemistry
TimsPy: access for raw timsTOF Pro data for data scientists
Topic :: Scientific/Engineering :: Chemistry
Tools for working with MS data in metabolomics