semvec/pypi-packages huggingface dataset:
ml-jdp4 1.3.2
An integrated quantum mechanics-machine learning approach for ultra-fast NMR structural elucidation.
License: MIT
Keywords: NMR structural elucidation

# ML_JDP4 Package

## An integrated quantum mechanics-machine learning approach for ultra-fast NMR structural elucidation

Authors: Ariel M. Sarotti & María M. Zanardi 

Usage: `ml_jdp4` 

### Installation Requirements

**ML_JDP4.py** needs python 3.8 or later to work. You can install the module from the command line console using:
`pip3 install ml-jdp4`

### User Guide

You need to create a folder containing the following files: 

      1. The gaussian outputs of the NMR and NBO calculations (all conformers for all isomers).
      
      2. The excel file containing the experimental data and the labels of each nucleus associated with each experimental value.

See the [project repository](https://github.com/Sarotti-Lab/ML_J_DP4) for more details.
end2end 1.2
Python end two end encryption designed for socket
License: MIT

# end2end-encryption
The end2end encryption module implements end to end encryption for python. The module is designed for sockets.
## installation
The package can be installed using pip:
```
$ pip install end2end
```

## basic usage
The encryption uses a `communicator` that encrypts, decrypts and handles the key exchange. The Communicator can be created with a socket `sock` and the size of the key `key_size` the client uses. 
```
com = end2end.createComunicator(sock, key_size)
``` 
a full simple mock-up of the server can be found in the `test.py` and `test2.py` files.
projeto-bibliotecas 0.0.1
Calculator to test
License: MIT
Keywords: calculator


# Projeto Bibliotecas

A ideia do projeto Ã© transformar scripts com vÃ¡rias funÃ§oes em bibliotecas, possibilitando que outros usuÃ¡rios tenham acesso Ã s funcoes sem precisarem usar os scripts em si



## Autor

 matheus.lopes


## InstalaÃ§Ã£o

#### Instale a biblioteca usando pip

```http
  pip install projeto_bibliotecas
```

## Requerimentos

- Pandas




Change Log
==========

0.0.1 (05/04/2022)
-------------------
- First Release