#IGMPlot
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khartab.bsky.social
🎉Milestone reached!🧬
Our article just hit 1,500 citations (as of July 27, 2025)👍
Big thanks to the research community!🙏
💻Try IGMPlot, our free software from #Université de #Reims igmplot.univ-reims.fr #NCI #IGMPlot #ElectronDensity #ChemicalBonding #Chemistry #CompChem #MolecularModelling #URCA
July 27, 2025 at 9:38 AM
khartab.bsky.social
IGMPlot 3.16.2 is here! (🗓️March 2025) 🔗 Get it free: 👉igmplot.univ-reims.fr 💻 #OpenSource – Made at @universitereims.bsky.social
🔍 Analyze intermolecular interactions like never before! 🧐💡🧬🧪👩‍💻🧑‍💻
#IGMPlot #CompChem #Molecular #Interactions #ScientificSoftware #OpenScience #TopCited #URCA
March 19, 2025 at 3:07 PM
khartab.bsky.social
💻✨Discover the free and robust IGMPlot software 👉 igmplot.univ-reims.fr which provides multiple molecular modeling hashtag#descriptors and hashtag#indicators for hashtag#comprehensive hashtag#chemical analysis #CompChem #IGMPlot #Pauli #Quantum #Chemistry #Molecular #Design
IGMPlot: a program revealing chemical interactions
igmplot.univ-reims.fr
August 13, 2025 at 6:42 AM
khartab.bsky.social
🎉Excited to share that our paper has been accepted in @chemicalscience.rsc.org
🧬A visualizable and widely applicable #Steric #Repulsion #descriptor designed to guide #experimental #chemistry 🧑‍🔬⚗️
💎Diamond #OpenAccess🔗http://urlr.me/xSjrCv
#CompChem #ChemSciVoices #MyFirstChemSci #IGMPLOT #NCI
January 10, 2026 at 7:56 AM
khartab.bsky.social
igmplot.univ-reims.fr
IGMPlot: a program revealing chemical interactions
igmplot.univ-reims.fr
July 27, 2025 at 9:49 AM
khartab.bsky.social
🙏Thanks so much, dear Olex! Have a look at the site 👉 igmplot.univ-reims.fr I’m pretty sure it has some cool chemical descriptors that could be useful for machine learning 😉🤖
IGMPlot: a program revealing chemical interactions
igmplot.univ-reims.fr
July 30, 2025 at 8:02 AM
chemicalscience.rsc.org
Want to visualise steric repulsion in 3D? Our Chemical Science Pick of the Week for this week is "A Visualizable and Widely Applicable Steric Repulsion Descriptor for Guiding Experimental Chemistry" by Éric Hénon et al.

Read it here, free: doi.org/10.1039/D5SC...

#ChemSky #CompChemSky 🧪
A scientific infographic titled “Steric Analysis” showing a 3D molecular model of a chiral catalyst interacting with a substrate. Color‑coded isosurfaces (green to red) represent steric repulsion values from 0 to 0.4 kcal/mol/bohr³, computed with IGMPlot. Molecular fragments such as a mesityl group and (S)-configured center are labeled. Numerical steric values in kcal/mol appear along bonds. A yellow circle on the left reads “Pick of the Week,” and the words “SELF” and “chiral catalyst” are highlighted. Small cartoon molecules with repulsion arrows appear in the top right.
January 28, 2026 at 10:00 AM
khartab.bsky.social
🚨Just published on @chemrxiv.org
👉 is.gd/pgzFrT
The #Steric #Exclusion Localization Function #SELF🤖new approach for 3D steric #repulsion #visualization ⚛️↔️⚛️hotspot ID🧬& atomic contribution quantification #CompChem #IGMPlot #Pauli #Quantum #Chemistry #Molecular #Design #descriptors #indicators #URCA
A Practicable Measure and Spatial Visualization of Steric repulsion with Atomic Resolution
Steric repulsion, often regarded as a macroscopic manifestation of the Pauli exclusion principle, which prevents electrons with the same spin from occupying the same space, is experiencing renewed int...
is.gd
August 13, 2025 at 6:38 AM
khartab.bsky.social
🎉#IGMPlot: A program to identify, characterize, and quantify #molecular #interactions, is among the Top 10 most-cited papers in the #Journal of #Computational #Chemistry!
Huge thanks to my co-authors and the community for this recognition!🙏
#CompChem #Scientific #Software #OpenScience #TopCited
March 19, 2025 at 3:05 PM
khartab.bsky.social
Supporting Information with key #SELF formulas, striking visual analyses, and benchmark data to power the main findings 👉 urlr.me/srAfV4 ✅#CompChem #IGMPlot #Pauli #Quantum #Chemistry #Molecular #Design
August 13, 2025 at 6:40 AM