A Windows GUI software for performing machine learning (ML) tasks in chemistry.
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Updated
May 24, 2024 - C#
A Windows GUI software for performing machine learning (ML) tasks in chemistry.
This article has been written to help chemists to run mechanistic studies in ORCA
My personal portfolio and place to share some of the many different projects I've done.
A Knowledge Graph of Common Chemical Names to their Molecular Definition
Optimization of organic chemistry catalysts using the coevolution approach
This article provides information to allow users to determine the energy required or released when a metal coordinates with a ligand/organic molecule
Sequester C as LIFE.
The source code of the Bayesian optimization of photocatalysts research project.
Virtual Reality Learning Environment to support students' abilities to extract, represent, and predict stereochemical outcomes for Diels-Alder reactions.
Ce tipe réalisé en classe préparatoire PC est un projet dont l'objectif est d'établir le lien entre glycémie et viscosité sanguine, et d'étudier les différents moyens de mesure de la glycémie.
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Clash of Chem is a thrilling multiplayer organic chemistry game where players compete to convert compounds using reagents in a race to achieve their goals.
published organic chemistry data
Solvent Eluent Strength Translator
View PDB and MOL file's 3D structures
Parse tree viewer for SMILES strings.
This repository forms the electronic laboratory notebook (ELN)for Klementine Burrell-Sander's PhD's
Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors
Add a description, image, and links to the organic-chemistry topic page so that developers can more easily learn about it.
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