A chemical model of planetary atmospheres
Web application to explore the QUEST database
Combining SchNet, PaiNN and SHARC – Bridging the Gap between Machine Learning and Photoinduced Dynamics
This app is for fitting Time Resolved Photoluminescence (TRPL) measurement data that includes the Instrument Response Function (IRF). It uses a reconvolution method to account for the IRF of the instrument system. It outputs fitting parameters and offers multiple lifetime decay models.
Computational Data for the study of the photoisomerization mechanism of PAT
This repository contains code for predicting near-infrared (NIR) and UV-Vis properties of photoswitches using multitask learning using MPNN architecture.
Automated application of Woodward-Fieser, Fieser and Fieser-Kuhn rules to predict absorption maxima of organic chromophores.
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