We are pleased to support the Keystone Symposia meeting on Computational Advances in Drug Discovery, taking place May 7โ10, 2026, in London, UK.
Join our team (Christoph Riplinger & Bernardo De Souza) and learn more about our CADD toolkit.
We look forward to seeing you there.
Meeting: https://keysym.us/KSDrugDiscovery26
When: May 7โ10, 2026
Where: Park Plaza Riverbank London, London, United Kingdom
#FACCTs #KSDrugDiscovery26 #CADD #CompChem #QuantumChem #DrugDiscovery #ORCA #WEASEL
Our paper on the #ORCA #Python Interface OPI is published in #JCTC!
https://pubs.acs.org/doi/full/10.1021/acs.jctc.5c02141
Check it out and join the OPI community.
OPI on GitHub: https://github.com/faccts/opi
OPI documentation: https://www.faccts.de/docs/opi/docs
#FACCTs #OPI #CompChem #QuantumChem #ScientificSoftware #OpenSource
Visit our team (Jeroen Koopman, Anneke Dittmer, Joel Brenner, Severin Polonius) at the analytica in Munich to learn more about our latest software solutions. Weโre looking forward to connecting and exchanging with you.
Hall A3,
Booth 503-1
#FACCTs #analytica2026 #CompChem #QuantumChem #Workflows #Automation #AI #AnalyticChem #ORCA #WEASEL #TOUCAN
Thorsten Gressling will give a presentation on the combination of #ParamusAI and #ORCA for "๐๐ถ๐ต๐ฐ๐ฎ๐ข๐ต๐ฆ๐ฅ ๐๐ฆ๐ข๐ค๐ต๐ช๐ฐ๐ฏ ๐๐ฆ๐ค๐ฉ๐ข๐ฏ๐ช๐ด๐ฎ ๐๐ช๐ด๐ค๐ฐ๐ท๐ฆ๐ณ๐บ ๐ธ๐ช๐ต๐ฉ ๐๐๐๐ ๐ข๐ฏ๐ฅ ๐๐ ๐๐จ๐ฆ๐ฏ๐ต๐ด" at the ACS Spring in Atlanta.
Check out NEB-TS in our tutorial: https://www.faccts.de/docs/orca/6.1/tutorials/react/nebts.html
On March 24, Analytica 2026 kicks off in Munich โ and weโre excited to be part of it.
Experience our product portfolio live, including #WEASEL, #ORCA, and more. Connect with our team and discover how our solutions support cutting-edge analytical workflows and elevate your processes to a new level of efficiency.
We look forward to seeing you there.
#FACCTs #CompChem #QuantumChem #Workflows #AnalyticalChem #analytica
With our latest #WEASEL release, it is time to introduce another workflow: the fully automated calculation of rotational barriers for arbitrary molecules, enabling the reliable identification and classification of #atropisomers.
Learn more about WEASEL and its workflows at https://www.faccts.de/weasel/
Check out the new Jupyter notebook on the calculation of redox potentials with #ORCA and our ORCA Python Interface (#OPI) by our Computational Scientist Hagen Neugebauer:
https://www.faccts.de/docs/opi/nightly/docs/contents/notebooks/redox.html
OPI Docs: https://www.faccts.de/docs/opi/docs/
OPI on GitHub: https://github.com/faccts/opi
#ORCAqc #OPI #ORCAPI #CompChem #QuantumChem #Python #FACCTs #ChemSky
Check out the recent work on the photohydrolysis of furans by our scientific advisor and Nobel laureate Benjamin List, Siegfried Waldvogel and colleagues with contributions from Benjamin Helmich-Paris. For a quick start on GOAT, DLPNO-CCSD(T), and more also check our ORCA tutorials https://www.faccts.de/docs/orca/tutorials/.
Young, curious scientists are our future. Thatโs why weโre especially delighted to sponsor this yearโs #JCF Frรผhjahrssymposium in our hometown of Cologne. Weโre looking forward to meeting many of you there!
#FACCTs #FJS2026 #JungesChemieForum #GDCh #ORCAqc #OPI #ChemSky
Weโre excited to sponsor this yearโs #CCSC2026, taking place March 10โ13 in Munich, Germany!
Meet us in Munich and learn more about the latest #ORCA (FACCTs & Max-Planck-Institut fรผr Kohlenforschung) features and our ORCA Python Interface (#OPI).
Weโre looking forward to seeing you there!
CCSC: https://ccsc2026.github.io/
ORCA: https://www.faccts.de/orca/
OPI: https://github.com/faccts/opi
#FACCTs #ORCAqc #CompChem #QuantumChem #OPI #ORCAPI #MachineLearning #MPIKOFO
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