semvec/pypi-packages huggingface dataset:
LigPrepper 0.5.0
Simple program to quickly prepare ligand 3d SDF/MOL2/PDBQT from smiles
Requires Python: >=3.9

# LigPrepper

Simple program to quickly prepare 3D SDF/MOL2/PDBQT files from SMILES for ligands using rdkit & openbabel.

Also, split sdf and convert formats sdf<->pdbqt for Autodock Vina

[![PyPI version](https://badge.fury.io/py/LigPrepper.svg)](https://badge.fury.io/py/LigPrepper) [![Downloads](https://pepy.tech/badge/ligprepper)](https://pepy.tech/project/ligprepper)

## Installation:

```
pip install LigPrepper
```

## Usage:

#### For single SMILES

```
LigPrepper.smiles2sdf('c1ccncc1', labels='pyridine')

LigPrepper.smiles2mol2('c1ccncc1', labels='pyridine')

LigPrepper.smiles2pdbqt('c1ccncc1', labels='pyridine')
```

#### For a list of SMILES

```
LigPrepper.smiles2sdf(smiles_list, labels=labels_list, mergesdf=False)
```

#### Want to align molecule to reference molecule in SDF format

```
LigPrepper.smiles2sdf(smiles_list, labels=labels_list, ref='ref.sdf', mergesdf=False)
```

#### convert formats

```
LigPrepper.sdf2pdbqt("your-molecule.sdf")
LigPrepper.pdbqt2sdf("your-molecule.pdbqt")
```

#### split sdf

```
Ligprepper.splitsdf("your-molecules.sdf",outputdir=None,parts=0,molspersdf=1,firstpart=1)

Arguments:
    outputdir   - directory to save output sdf files
    parts       - number of parts to split
    molspersdf  - number of molecules to be chunked into (parts is neglected if this is used)
    firstpart   - naumber of the first part 
```

#### Draw 2D structures

```
LigPrepper.smiles2png(smiles_list, labels=labels_list)

LigPrepper.smiles2png(smiles_list, labels=labels_list, ref='ref smiles')

LigPrepper.smiles2png(smiles_list, labels=labels_list, ref='ref.sdf')
```
dlsys 2.1.0
A versatile downloader for various types of internet content
Requires Python: >=3.7
Keywords: downloader youtube audio video image webpage

# Dlsys v2.1.0

Dlsys is a powerful and versatile Python package for downloading and processing various types of content from the internet, including YouTube videos, websites, images, and audio files.

## Features

- Download audio and video from YouTube and other supported platforms
- Split audio files into customizable segments
- Download images from URLs with error handling
- Download and save webpages
- Support for multiprocessing to speed up downloads
- Improved error handling and logging
- Customizable output formats for audio and video

## Installation

You can install Dlsys using pip:

```
pip install dlsys
```

## Usage

Here are some examples of how to use Dlsys v2.1.0:

```python
from dlsys import Dlsys

# Download audio from a YouTube video and split it into 60-minute segments
Dlsys().set_url("https://youtu.be/Y3whytmX51w").split(60).audio()

# Download video from a YouTube URL in MP4 format
Dlsys().set_url("https://youtu.be/Y3whytmX51w").set_format("mp4").video()

# Download multiple audio files using multiprocessing
urls = ["https://youtu.be/video1", "https://youtu.be/video2", "https://youtu.be/video3"]
Dlsys().set_url(urls).output_dir("downloads").multi().audio()

# Download images
image_urls = ["https://example.com/image1.jpg", "https://example.com/image2.png"]
Dlsys().set_url(image_urls).output_dir("images").download_images()

# Download webpages
webpage_urls = ["https://example.com", "https://example.org"]
Dlsys().set_url(webpage_urls).output_dir("webpages").download_webpages()
```

## New in v2.1.0

- Added `set_format()` method to specify output format for audio and video
- Improved error handling with more informative error messages
- Enhanced logging capabilities for better debugging
- Performance optimizations for faster downloads
- Updated dependencies to their latest versions

## License

This project is licensed under the MIT License - see the [LICENSE](LICENSE) file for details.

## Contributing

Contributions are welcome! Please feel free to submit a Pull Request.

## Support

If you encounter any issues or have questions, please open an issue on the [GitHub repository](https://github.com/yourusername/dlsys/issues).
adddata-logger 0.2.0
Configure logger to write logs into the appdata directory
Requires Python: >=3.6

Configure logger to write logs into the ``%appdata%`` directory.

Usage:

    import logging
    import appdata_logger
    logger = logging.getLogger(__name__)

    if __name__ == '__main__':
        appdata_logger.config_with_console_and_file_handlers(application='myapp')
        appdata_logger.log_command_line()
        logger.info('Started')
systel-bot 0.1.0
A Telegram bot that monitors system performance and sends updates.
Requires Python: >=3.6

# Systel-Bot

**Systel-Bot** is a Python-based Telegram bot designed to monitor and report system performance metrics. The bot tracks CPU usage, RAM usage, and GPU metrics such as temperature, power usage, and memory usage, sending updates via Telegram at regular intervals.

## Features

- **CPU Monitoring**: Tracks and reports CPU usage percentage.
- **RAM Monitoring**: Monitors used and total RAM.
- **GPU Monitoring**: Reports GPU load, temperature, power usage, and memory usage.
- **Telegram Notifications**: Sends regular updates to a specified Telegram chat.

## Installation

To get started, clone the repository and install the dependencies:

git clone https://github.com/Dis-Co-der/systel-bot.git
cd systel-bot
pip install .

In the '.env' file in the root directory and add your Telegram bot token and chat_id from telegram in the '':

BOT_KEY='your_bot_key'
CHAT_ID='your_chatid'

After setting up, you can start the bot by running:

python3 bot.py


Project Structure:

.
├── bot.py           # Main script for monitoring and sending updates
├── requirements.txt     # List of dependencies
├── setup.py             # setup
├── pyproject.toml       # Project configuration file
├── README.md            # Project documentation
├── LICENSE.txt          # LICENSE File  
└── .env                 # Environment variables

Contributing
If you'd like to contribute, please fork the repository and use a feature branch. Pull requests are warmly welcome.

License
This project is licensed under the MIT License - see the LICENSE file for details.

Contact
For any inquiries or support, please reach out to Dan Lappisto at https://github.com/Dis-Co-der.
scikit-milap 0.1.3
A wrapper around scikit learn ML models that enable you to create and use models easily.
Requires Python: >=3.9

# SCIKIT-MILAP
A Wrapper around Scikit learn's ML models that makes the use of them Super easy 


# To-Do List

- [x] Inital Setup
- [ ] Tests
- [ ] DOCS
- [ ] Examples
- [ ] More Models
izienv 0.1.2
Python package to handle multiple files with environment variables.
Requires Python: >=3.11

### Python package to handle multiple files with environment variables.

- TODO: Ver si puedo instalarlo en global para manejar las variables dentro de arch.

### Quickstart
- Crear folder `.envs/` en la raiz del proyecto.
```bash
cd /path/to/project
mkdir -p .envs
touch .envs/name_env.env
```

- Editar las variables de entorno, deberán llamarse `{NAME_ENV}_{VAR}`.
```bash
SIMPLE_VAR=my_cats_are_beautiful
NAME_ENV_SOME_STRING=my_var_1
NAME_ENV_SOME_PATH=/path/to/data
```


```python
from izienv import BaseEnv, load_env_var, load_izienv

class MyEnv(BaseEnv):
    @property
    @load_env_var_str()
    def SIMPLE_VAR(self) -> str:
        return "SIMPLE_VAR"
    
    @property
    @load_env_var_str(name_left=True)        # Set name_left to add the `NAME_ENV` to the variable.
    def SOME_STRING(self) -> str:
        return "SOME_STRING"
    
    @property
    @load_env_var_path(name_left=True)        # Set name_left to add the `NAME_ENV` to the variable.
    def SOME_PATH(self) -> str:
        return "SOME_PATH"

NAME = 'name_env'
load_izienv(name=NAME, path_envs=Path(".envs"))

# You need .envs/ folder with envs. Or set `path_envs`.
env = MyEnv(name=NAME)
print(env.SIMPLE_VAR)
print(env.SOME_STRING)
print(env.SOME_PATH)
```
scraping-orbit 0.0.2
Tools for web-scraping and automation projects.
Requires Python: >=3.11

# automation_toolbox
Tools to use in automation projects. Test.
![_1de1a18a-ef38-485e-a832-ea0a5470ee63](https://github.com/user-attachments/assets/ca4c5d8b-b3e5-4df9-a6eb-12ebf4032929)
pycpio 1.3.0
A Python library for reading and writing cpio archives.
Requires Python: >=3.11

 ![Tests](https://github.com/desultory/pycpio/actions/workflows/unit_tests.yml/badge.svg)

# PyCPIO

A library for creating CPIO files in Python.

Currently, the library only supports the New ASCII format, and xz compression

This library is primary designed for use in [ugrd](https://github.com/desultory/ugrd) to create CPIO archives for use in initramfs.

## Usage

```
  -h, --help            show this help message and exit
  -d, --debug           enable debug mode (level 10)
  -dd, --trace          enable trace debug mode (level 5)
  -v, --version         print the version and exit
  --log-file LOG_FILE   set the path to the log file
  --log-level LOG_LEVEL
                        set the log level
  --log-time            enable log timestamps
  --no-log-color        disable log color
  -i INPUT, --input INPUT
                        input file
  -a APPEND, --append APPEND
                        append to archive
  --recursive RECURSIVE
                        append to archive recursively
  --relative RELATIVE   append to archive relative to this path
  --absolute            allow absolute paths
  --reproducible        Set mtime to 0, start inodes at 0
  --rm RM, --delete RM  delete from archive
  -n NAME, --name NAME  Name/path override for append
  -s SYMLINK, --symlink SYMLINK
                        create symlink
  -c CHARDEV, --chardev CHARDEV
                        create character device
  --major MAJOR         major number for character/block device
  --minor MINOR         minor number for character/block device
  -u UID, --set-owner UID
                        set UID on all files
  -g GID, --set-group GID
                        set GID on all files
  -m MODE, --set-mode MODE
                        set mode on all files
  -z COMPRESS, --compress COMPRESS
                        compression type
  -o OUTPUT, --output OUTPUT
                        output file
  -l, --list            list CPIO contents
  -p, --print           print CPIO contents
  ```

# Structure

- `pycpio.header.cpioheader`: The class which represents a CPIO header
  * Can be initialized from args for header fields, or bytes representing a header
  * header types are defined in `pycpio.header.headers` (only the new ascii format is supported)
- `pycpio.cpio.data`: The class which represents a CPIO data block
  * Each CPIO object must have a header.
  * Currently the follwing subtypes are supported:
    - `file` : A regular file, or hardlink.
    - `dir` : A directory
    - `symlink` : A symbolic link
    - `chardev` : A character device
  * CPIO objects are collected in a `pycpio.cpio.archive` object
    - The archive handles duplication, inode generation, name normalization, and other collection related tasks
  * All CPIO object types can be initialized from args, bytes, or a file path