A chemical model of planetary atmospheres
python fortran cython atmosphere exoplanets earth-science astrobiology photochemistry photochemical-model
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Jan 27, 2026 - Python
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photochemistry
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Web application to explore the QUEST database
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May 27, 2022 - JavaScript
Combining SchNet, PaiNN and SHARC – Bridging the Gap between Machine Learning and Photoinduced Dynamics
machine-learning neural-network molecular-dynamics-simulation excited-states photochemistry schnetpack
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Mar 12, 2025 - Jupyter Notebook
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.
physics trpl material-science science-research tcspc lifetime-spectroscopy time-resolved-spectroscopy photochemistry fitting-curves
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Nov 7, 2025 - Python
This repository contains code for predicting near-infrared (NIR) and UV-Vis properties of photoswitches using multitask learning using MPNN architecture.
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Apr 29, 2025 - Python
Computational Data for the study of the photoisomerization mechanism of PAT
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May 21, 2025
Automated application of Woodward-Fieser, Fieser and Fieser-Kuhn rules to predict absorption maxima of organic chromophores.
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Nov 4, 2025 - Python
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