ChemNLP
Table of Contents
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
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