semvec/pypi-packages huggingface dataset:
wickd 1.1.0
An example minimal project that compiles bindings using nanobind and scikit-build
Requires Python: >=3.9

# Wick&d

Wick&d is a python library that implements the algebra of second quantization for fermionic systems.
Wick&d implements Wick's contraction theorem for general Fermi vacua.

<img src="https://github.com/fevangelista/wickd/raw/main/lib/logo.png" width="300">

[![Pip](https://github.com/fevangelista/wickd/actions/workflows/pip.yml/badge.svg)](https://github.com/fevangelista/wickd/actions/workflows/pip.yml)
[![Wheels](https://github.com/fevangelista/wickd/actions/workflows/wheels.yml/badge.svg)](https://github.com/fevangelista/wickd/actions/workflows/wheels.yml)
[![codecov](https://codecov.io/gh/fevangelista/wickd/branch/main/graph/badge.svg?token=oe5ECK9O1N)](https://codecov.io/gh/fevangelista/wickd)
[![DOI](https://zenodo.org/badge/64144811.svg)](https://zenodo.org/badge/latestdoi/64144811)

## Installation (develpment version)

To install Wick&d, clone this repository (including its submodule pybind11) and compile it using the `pip install` command:

```bash
git clone --recurse-submodules https://github.com/fevangelista/wickd.git
cd wickd
pip install --no-build-isolation -ve .
```

## Getting started

To learn how to use Wick&d start from the [jupyter tutorials](https://github.com/fevangelista/wickd/tree/main/tutorials).
There are also a few examples of ways to use Wick&d in the [examples directory](https://github.com/fevangelista/wickd/tree/main/examples).
whereisthemouse 1.0.0
show mouse position and pixel value
Requires Python: >=3.6

encoding="utf-8
# whereisthemouse

A simple Python package to **show mouse position and pixel value** on the desktop. 

Press `Alt` to copy the current mouse position and pixel value to the clipboard.

## Usage

```python
import whereisthemouse
whereisthemouse.start()
```

## Features

- Display current mouse position and pixel color value.
- Press `Alt` to copy the information to the clipboard.

## License

MIT License
cddd-onnx 0.1.0
CDDD models in ONNX format with automatic model downloading
Requires Python: >=3.8

# CDDD-ONNX

This package provides CDDD (Continuous and Data-Driven Descriptors) models in ONNX format with automatic model downloading capabilities. This is an ONNX runtime version of the original [CDDD package](https://github.com/jrwnter/cddd).

<img src="https://github.com/jrwnter/cddd/raw/master/example/model.png" width="80%"/>

## Limitations

* Currently, only the encoder model is implemented. The decoder uses TensorFlow-specific opcodes that are not supported by ONNX. I am working on a solution.
## Installation

```bash
pip install cddd-onnx
```

## Usage

### Command Line Interface

Extract molecular descriptors from SMILES using the command line interface:

```bash
cddd-onnx --input smiles.smi --output descriptors.csv
```

For CSV files with a custom SMILES column header:
```bash
cddd-onnx --input molecules.csv --output descriptors.csv --smiles_header smiles_column
```

### Python Interface

The format is the same as in the original CDDD package. Just import `cddd_onnx` instead of `cddd`:

```python
from cddd_onnx import InferenceModel
# Create model instance
model = InferenceModel()

smiles_list = ["CCCCO", "CCCN", "CC1=CC=CC=C1"]
embeddings = model.seq_to_emb(smiles_list)
```
* The preprocessing stage is inside the seq_to_emb function, so you do not need to run it separately.
* Be aware that if the SMILES is out of AD, the preprocessor returns None, resulting in a row of NaNs for such compounds.
### Input Formats
Supported input formats:
- CSV files with SMILES column
- SMI files (one SMILES per line)

## Models

The models are automatically downloaded to `~/.cddd_onnx/models/` directory when first used. 

## Requirements

- onnxruntime
- numpy
- pandas
- tqdm
- rdkit

## License

[MIT License](LICENSE)

## Citation

If you use this software, please cite the original CDDD paper:

```bibtex
@article{Winter2019,
  title = {Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations},
  volume = {10},
  ISSN = {2041-6539},
  url = {http://dx.doi.org/10.1039/C8SC04175J},
  DOI = {10.1039/c8sc04175j},
  number = {6},
  journal = {Chemical Science},
  publisher = {Royal Society of Chemistry (RSC)},
  author = {Winter,  Robin and Montanari,  Floriane and Noé,  Frank and Clevert,  Djork-Arné},
  year = {2019},
  pages = {1692–1701}
}
cyb600-huff1-lab1 0.1.4
This package creates a webserver that will spit out the current time
Requires Python: >=3.6

# CYB600 Huff1 Lab1 - Webserver Time Display

### This is a Python package that starts a simple web server and dynamically displays the current system time



## Installation

You can install this package directly from **PyPI** using `pip`:

pip install cyb600_huff1_lab1


## Usage

### To import and start the web server run the following code in Python:

import cyb600_huff1_lab1

cyb600_huff1_lab1.time_displayer()


### Accessing the web server:

Once the server is running, open your browser and go to:
http://localhost:8000

You should then see the current system time displayed.