@faccts_orca@mastodon.social
FACCTs is bringing the ORCA software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
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
Thanks for your interest in trying out Elk, our work-in-progress Mastodon web client!
Expect some bugs and missing features here and there. we are working hard on the development and improving it over time.
Elk is Open Source. If you'd like to help with testing, giving feedback, or contributing, reach out to us on GitHub and get involved.
To boost development, you can sponsor the Team through GitHub Sponsors. We hope you enjoy Elk!
