R package with many properties of the chemical elements collected from various public sources

A Javascript library to estimate thermodynamic and transport properties of gas mixtures

Train a neural network to predict the quality of red-wine using chemical properties such as pH, density, alcohol percentage etc.

PharmaDiscover, featuring a MoleculeSimulator application. It includes Razor pages, controllers, services, models, and database files, suggesting it is a web app with simulation and data processing capabilities.

Exploratory data analysis of white wines data set to understand its chemical propertie using ggplot2 library of R

ChemCluster is an interactive web app built with Streamlit that helps chemists analyze and visualize molecular structures. It supports both single-molecule and dataset exploration modes, offering 2D/3D visualization, conformer clustering, property calculation, and PCA-based clustering.

Web app for chemical properties prediction