What's new

Here you will find news of new features and changes to the computing environment

Applications

• Schrödinger Maestro 2025.2, 15.5.2025
• GROMACS 2025.1, 7.5.2025
• Geoconda 3.12.10, 6.5.2025
• PyTorch 2.6.0 available on Puhti and Mahti, 10.4.2025
• R in Mahti, 7.4.2025
• Tykky 0.4.2, 27.2.2025
• R 4.4.2 in r-env, 25.2.2025
• JAX 0.4.38 available on Puhti, Mahti and LUMI, 0.5.0 available on Puhti and Mahti, 19.02.2025
• Snakemake and Nextflow tutorials significantly improved
• Schrödinger Maestro 2025.1, 6.2.2025
• Molpro 2024.3 is available on Puhti and Mahti, 3.2.2025
• PyTorch 2.5.1 available on Puhti, Mahti and LUMI, 20.12.2024
• Maestro versions older than 2023.1 will not work after 13.3.2025
• GROMACS 2024.4, 7.11.2024
• Schrödinger Maestro 2024.4, 5.11.2024
• JAX 0.4.30 available on LUMI, 23.10.2024
• NAMD 3.0 available on Puhti and Mahti, 11.10.2024
• Amber24 available on Puhti and Mahti, 8.10.2024
• CSC chemistry software stack on LUMI updated, 26.9.2024
• PyTorch 2.4.1 available on LUMI, 19.9.2024
• GROMACS 2024.3, 12.9.2024
• JAX 0.4.30 available on Puhti and Mahti, 5.9.2024
• CP2K 2024.2 available on Puhti and Mahti, 27.8.2024
• ORCA 6.0.0, 22.8.2024
• PyTorch 2.4.0, 21.8.2024

Do you find this page useful?

Yes

Thank you for your feedback!

No

Thank you! Your feedback is appreciated.

Please let us know how we could improve this page by contacting us or by creating an issue in GitHub. You can also edit this page yourself and contribute your improvements by creating a pull request.