FACCTs
@faccts.de did:plc:e6ses5okejrwl6b4nwg565v2
FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries. Visit us at www.faccts.de
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FACCTs (@faccts.de) é um usuário do Bluesky desde 4 setembro 2024. Tem 888 seguidores, segue 2.669 contas e publicou 140 posts.
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We're about to release v2.1 - and there are over 30 Python plugins - and more to come. If you've got a #compchem tool, it's really easy to add a plugin and voilà, it's available to hundreds of thousands of @avogadro.cc users to install
Ver post🧪 euroSAMPL2: blind prediction challenge for microscopic pKa values! Submit micro-, macro- or group-specific predictions. External jury evaluates FAIR+R data management. 📅 Nov 9, 2026 – Jan 13, 2027 Details: https://t1p.de/bjxh6 #pKa #CompChem #NFDI4Chem
Ver postDie EuChemS Awards 2026 sind ausgeschrieben: Gold Medal, Industry Innovation Award, Lecture Award, Award for Service und Historical Landmarks Award. Nominierungen bis 18.12.2026, 18:00 CET. 🏅 Alle Kriterien und Formulare: https://www.euchems.eu/euchems-awards-2026/ #Chemie #EuChemS
Ver postI made a small update, calculating the step where an amine attacks an activated acetylester, coupled to proton abstraction bay carbonate. This is just a clip of the MD at several constrained N-C distances. #compchem #chemsky 🧪 youtu.be/eiDxQvySQgo
Ver postMore info www.kofo.mpg.de/970824/qiu
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