semvec/pypi-packages huggingface dataset:
molgrid 0.5.5
Grid-based molecular modeling library
Requires Python: >=3

molgrid can be used to generate several types of tensors from input molecules, most uniquely three-dimensional voxel grids. Input can be specified fairly flexibly, with native support for numpy arrays and torch tensors as well as major molecular file formats via OpenBabel. Output generation has several options that facilitate obtaining good performance from machine learning algorithms, including features like data augmentation and resampling.
lekkersim 0.1.1
The lekker tool for photonic circuit simulation.
Keywords: photonic circuits, photonics, scattering matrix, simulation

[![License: AGPL v3](https://img.shields.io/badge/License-AGPL_v3-blue.svg)](https://www.gnu.org/licenses/agpl-3.0)
[![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)
[![Documentation Status](https://readthedocs.org/projects/lekkersim/badge/?version=latest)](https://lekkersim.readthedocs.io/en/latest/?badge=latest)
[![PyPI version](https://badge.fury.io/py/lekkersim.svg)](https://badge.fury.io/py/lekkersim)
# LekkerSIM package

LekkerSIM is a open source package for linear simulation of photonic circuit, based on the well known scattering matrix method.
Its features include:
- Easy calculation of S-parameters of a photonic circuit;
- A collection of pre-defined building blocks for easy definition of circuits;
- Parametric building blocks;
- Hierarchical circuit definition;
- Monitors inside the circuit for calculation of power flow.

## Installation
You can install LekkerSIM directly from pypi by running:

    pip install lekkersim

## Documentation
Full documentation is available on [Read the Docs](https://lekkersim.readthedocs.io).