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ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data

License: MIT License

Python 100.00%

chemnlp's Introduction

ChemNLP

Introduction
Installation
Examples
Web-app
Reference

Introduction

ChemNLP is a software-package to process chemical information from the scientific literature.

Installation

First create a conda environment: Install miniconda environment from https://conda.io/miniconda.html Based on your system requirements, you'll get a file something like 'Miniconda3-latest-XYZ'.

Now,

bash Miniconda3-latest-Linux-x86_64.sh (for linux)
bash Miniconda3-latest-MacOSX-x86_64.sh (for Mac)

Download 32/64 bit python 3.8 miniconda exe and install (for windows) Now, let's make a conda environment, say "chemnlp", choose other name as you like::

conda create --name chemnlp python=3.9
source activate chemnlp

Method 1 (using setup.py):

Now, let's install the package:

git clone https://github.com/usnistgov/chemnlp.git
cd chemnlp
python setup.py develop
cde data download

Method 2 (using pypi):

As an alternate method, ChemNLP can also be installed using pip command as follows:

pip install chemnlp
cde data download

Examples

Parse chemical formula

run_chemnlp.py --file_path="chemnlp/tests/XYZ"

Text classification example

python chemnlp/classification/scikit_class.py --csv_path chemnlp/sample_data/cond_mat_small.csv

Google Colab example for installation and text classification

Text generation example

Google Colab example for Text Generation with HuggingFace

Using the webapp

The webapp is available at: https://jarvis.nist.gov/jarvischemnlp

Reference

ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data

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chemnlp's Issues

How to use Trained ChemNLP

Hi,
I am looking for a tool which can extract Chemical Information from Text. In this regard how to use you ChemNLP which is already trained which takes in text and extracts Chemical Information out of it.

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