A Python tool for High-Throughput Virtual Screening of organic molecules driven by structural mutation and machine learning.
Project description
A Python tool for High-Throughput Virtual Screening of organic molecules driven by structural mutation and machine learning.
!PyPI version !Documentation status
Documentation | Colab Tutorial |
Table of contents:
Requirements
SALAM currently supports Python 3.7 and later versions, and requires these packages on any condition.
The source for this project is available here.
Installation
SALAM can be installed using pip as
pip install salam
Getting Started
The SALAM project maintains a collection of tutorials.
Typical usage is:
python salam salam_paras.inp &> salam.logfile &
About Us
SALAM is currently maintained by C. J. Tu. Anyone is free to join and contribute!
Citing SALAM
If you have used SALAM in the course of your research, we ask that you cite it.
There is still no official SALAM publication, the recommended citation is:
SALAM: a HTVS tool for organic materials. https://github.com/yidapa/salam
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