Efficient Householder Transformation in PyTorch

A Package for Parametrization of Molecular Mechanics Force Fields

Parameterizing Mixing Links in Sparse Factors Works Better than Dot-Product Self-Attention (CVPR 2022)

torchvision-based transforms that provide access to parameterization

matplotlib patch of a curly brace

Python Geometrical Morphing

Standardized parameterization of sinoatrial node myocyte action potentials

A warm rain parameterization using aircraft observation and Machine Learning technique

Analytical Hessian Fitting schemes for parameterization.

Automation Testing | API | Requests | Python | PyCharm | BDD | Behave | Hooks | Parameterization (Run scenario with multiple data sets) | Tagging | Allure Reports

A command-line utility for parameterizing small molecules using the SwissParam web service.

Controlled same-surface reparameterization experiments on a torus testing whether chart distortion predicts discrete mean-curvature error. Includes a white-paper script, falsification suite, plots, and diagnostics based on area density and metric conditioning under fixed periodic finite-difference stencils.

Strategy MMIC for force field parameter assignment

Differentiable Wolski twiss matrices computation for arbitrary dimension stable symplectic matrices

Backbones for parameterized models.

Tactic MMIC for force field parameter assignment with gmx

An attempt to fit ab-initio materials database (e.g. Materials Project) results to FitSNAP potential.

Class to read parameterized input files and design a DOE based upon a parameter-definition and doe-input file