Special text converter for easy converting text to text of smiles
-
Updated
Mar 5, 2017 - JavaScript
Special text converter for easy converting text to text of smiles
This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM
Natural Language Processing
Conversion between IUPAC names and SMILES chemical structures using context free grammars.
Robotic Process Automation Boilerplate Template for web controller systems
This a web app built using StreamLit that uses machine learning to predict bioactivity of molecules entered in SMILES format
Code for the paper "Exploring Data-Driven Chemical SMILES Tokenization Approaches to Identify Key Protein-Ligand Binding Moieties", published in Molecular Informatics
🧬🦠🧪 [research][wip] Library for working with DNA, RNA, and etc acids
Extracting SMILE Structure and IUPAC Name of Drugs from PubChem using Drug Names
⬢⬢⬢ Organizing and processing tables of chemical structures.
chemical viewer
A Python Framework for Integrating Classical and Quantum Mechanical Simulation Data, Experimental Data, and Cheminformatics into a Unified Predictive Engine for Macromolecular Design
Issue tracker of the NBDSuite web app
Classical cheminformatics and deep generative models
Certificates obtained in courses, hackathons, challenges, etc.
Template to generate TMAP from SMILES
This project implements a high-performance lossless codec for SMILES strings, designed for efficient compression and decompression. It's compatible with CUDA and AMD's HIP framework
Amazon.de smiles redirect plugin for Chrome
Add a description, image, and links to the smiles topic page so that developers can more easily learn about it.
To associate your repository with the smiles topic, visit your repo's landing page and select "manage topics."