12 skills found
yangwangmadrid / EzResonAn efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.
codeaashu / Starbuck Landing PageStarbucks' landing page invites you into a world of aromatic blends and cozy ambiance, promising a delightful coffee experience just a click away
zchinet30 / PXLinkXlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polyamide membrane separation layer. Currently it can use trimesic acid and m-Phenylenediamine as monomers.
jensengroup / RegioMLRegioML predicts the regioselectivity of electrophilic aromatic substitution reactions using machine learning.
jensengroup / RegioSQM20RegioSQM20 predicts the regioselectivity of electrophilic aromatic substitution reactions in heteroaromatic systems.
sbhakat / Infrequent MetadynamicsPrediction of transition time (kinetics) associated with aromatic ring flipping using infrequent metadynamics
jgrebol / ESIpyProgram aimed at the calculation of population analysis and aromaticity indicators from different Hilbert space partitions.
zwAstroChem / GNN4IRSpecPAHGraph Neural Network Prediction of Infrared Spectra of Interstellar Polycyclic Aromatic Hydrocarbons
Chandan-devs-tech / Spice Delights🌶️ Spice Delights 🍽️ is an Indian culinary project showcasing diverse flavors. Explore aromatic recipes like Baingan Bharta 🍆, Tandoori Chicken 🍗, Chicken Handi 🍛, and Matar Paneer 🧀. Experience the rich heritage of Indian cuisine with Flavors of India. 🌍🥘
daviddjenkins / STAARStatistical Analysis of Aromatic Rings
hewg2008 / AromToolAromatic stacking
thomasstruble / Site SelectivityMultitask prediction model for aromatic CH functionalization reactions
