@attecscfi.bsky.social
Reposted
4️⃣ Featuring the fourth of our showcase projects
Upgrading GROMACS to handle billion-atom systems and enhancing I/O performance and precision, making the first-ever whole-cell simulation possible ➡️ bioexcel.eu/uw67
#MolecularDynamics #GROMACS #ComputationalBiology
Upgrading GROMACS to handle billion-atom systems and enhancing I/O performance and precision, making the first-ever whole-cell simulation possible ➡️ bioexcel.eu/uw67
#MolecularDynamics #GROMACS #ComputationalBiology
September 12, 2025 at 6:22 AM
4️⃣ Featuring the fourth of our showcase projects
Upgrading GROMACS to handle billion-atom systems and enhancing I/O performance and precision, making the first-ever whole-cell simulation possible ➡️ bioexcel.eu/uw67
#MolecularDynamics #GROMACS #ComputationalBiology
Upgrading GROMACS to handle billion-atom systems and enhancing I/O performance and precision, making the first-ever whole-cell simulation possible ➡️ bioexcel.eu/uw67
#MolecularDynamics #GROMACS #ComputationalBiology
Reposted
🔔 Don't forget to register for our special edition webinar on 23 September where we will have 3 interesting talks by our BioExcel Summer School 2025 poster prize winners:
Find out more and register here ➡️ bioexcel.eu/ion8
Find out more and register here ➡️ bioexcel.eu/ion8
Webinar Special Edition: Summer School 2025 poster prize winners (2025-09-23)
Date: 23 September 2025
Time: 15:00 CET
Registration
This special edition of the BioExcel webinar series features student speakers who were awarded poster prizes at the BioExcel Summer School 2025. R...
bioexcel.eu
September 9, 2025 at 8:17 AM
🔔 Don't forget to register for our special edition webinar on 23 September where we will have 3 interesting talks by our BioExcel Summer School 2025 poster prize winners:
Find out more and register here ➡️ bioexcel.eu/ion8
Find out more and register here ➡️ bioexcel.eu/ion8
Reposted
📣 Attention SME´s and startups! 𝘓𝘢𝘳𝘨𝘦 𝘚𝘤𝘢𝘭𝘦 𝘈𝘤𝘤𝘦𝘴𝘴 𝘵𝘰 𝘈𝘐 𝘍𝘢𝘤𝘵𝘰𝘳𝘪𝘦𝘴 call is free of charge for you. Cut-off date: 30.06.2025
Apply now cutting-edge computing resources on LUMI supercomputer and turn your bold AI visions into reality with the help of LUMI AI Factory!
🔗 Read more: lnkd.in/dkvN2-Bi
Apply now cutting-edge computing resources on LUMI supercomputer and turn your bold AI visions into reality with the help of LUMI AI Factory!
🔗 Read more: lnkd.in/dkvN2-Bi
June 23, 2025 at 10:32 AM
📣 Attention SME´s and startups! 𝘓𝘢𝘳𝘨𝘦 𝘚𝘤𝘢𝘭𝘦 𝘈𝘤𝘤𝘦𝘴𝘴 𝘵𝘰 𝘈𝘐 𝘍𝘢𝘤𝘵𝘰𝘳𝘪𝘦𝘴 call is free of charge for you. Cut-off date: 30.06.2025
Apply now cutting-edge computing resources on LUMI supercomputer and turn your bold AI visions into reality with the help of LUMI AI Factory!
🔗 Read more: lnkd.in/dkvN2-Bi
Apply now cutting-edge computing resources on LUMI supercomputer and turn your bold AI visions into reality with the help of LUMI AI Factory!
🔗 Read more: lnkd.in/dkvN2-Bi
Reposted
This was illustrated during the hands-on session on calculating the potential of mean force (PMF) along a reaction coordinate using the AWH method in #GROMACS
Find the #tutorial here ➡ bit.ly/4c8xeWG and our #webinar on its application ➡ bit.ly/3xqERbY 📽️
Find the #tutorial here ➡ bit.ly/4c8xeWG and our #webinar on its application ➡ bit.ly/3xqERbY 📽️
June 11, 2025 at 12:23 PM
This was illustrated during the hands-on session on calculating the potential of mean force (PMF) along a reaction coordinate using the AWH method in #GROMACS
Find the #tutorial here ➡ bit.ly/4c8xeWG and our #webinar on its application ➡ bit.ly/3xqERbY 📽️
Find the #tutorial here ➡ bit.ly/4c8xeWG and our #webinar on its application ➡ bit.ly/3xqERbY 📽️
Reposted
First full day of the Summer School on Biomolecular Simulations 2025 in Sardinia 😎 🏖️
It's mostly about #moleculardynamics and #GROMACS with lectures and hands-on tutorials
Check out these useful MD tricks from Prof. Berk Hess👇
It's mostly about #moleculardynamics and #GROMACS with lectures and hands-on tutorials
Check out these useful MD tricks from Prof. Berk Hess👇
June 9, 2025 at 8:15 PM
First full day of the Summer School on Biomolecular Simulations 2025 in Sardinia 😎 🏖️
It's mostly about #moleculardynamics and #GROMACS with lectures and hands-on tutorials
Check out these useful MD tricks from Prof. Berk Hess👇
It's mostly about #moleculardynamics and #GROMACS with lectures and hands-on tutorials
Check out these useful MD tricks from Prof. Berk Hess👇
Reposted
Two positions open @csc.fi
🔐Security Specialist – coordinate security for the LUMI AI Factory's software solutions
📝Senior Coordinator for Trustworthy AI – creation of guidelines & documentation to ensure compliance with the EU AI Act
Apply by 3 June! ➡️ www.lumi-supercomputer.eu/open-positio...
🔐Security Specialist – coordinate security for the LUMI AI Factory's software solutions
📝Senior Coordinator for Trustworthy AI – creation of guidelines & documentation to ensure compliance with the EU AI Act
Apply by 3 June! ➡️ www.lumi-supercomputer.eu/open-positio...
May 27, 2025 at 10:53 AM
Two positions open @csc.fi
🔐Security Specialist – coordinate security for the LUMI AI Factory's software solutions
📝Senior Coordinator for Trustworthy AI – creation of guidelines & documentation to ensure compliance with the EU AI Act
Apply by 3 June! ➡️ www.lumi-supercomputer.eu/open-positio...
🔐Security Specialist – coordinate security for the LUMI AI Factory's software solutions
📝Senior Coordinator for Trustworthy AI – creation of guidelines & documentation to ensure compliance with the EU AI Act
Apply by 3 June! ➡️ www.lumi-supercomputer.eu/open-positio...
Reposted
@csc.fi is hiring an Application Specialist in quantum computing! Join them building world-class HPC+AI+Quantum platform via LUMI AI Factory. You’ll:
✅ Support users & projects in QC
✅ Build training & docs
✅ Help integrate HPC + QC workflows
Apply by 19.5
🔗 www.lumi-supercomputer.eu/open-positio...
✅ Support users & projects in QC
✅ Build training & docs
✅ Help integrate HPC + QC workflows
Apply by 19.5
🔗 www.lumi-supercomputer.eu/open-positio...
May 5, 2025 at 12:18 PM
@csc.fi is hiring an Application Specialist in quantum computing! Join them building world-class HPC+AI+Quantum platform via LUMI AI Factory. You’ll:
✅ Support users & projects in QC
✅ Build training & docs
✅ Help integrate HPC + QC workflows
Apply by 19.5
🔗 www.lumi-supercomputer.eu/open-positio...
✅ Support users & projects in QC
✅ Build training & docs
✅ Help integrate HPC + QC workflows
Apply by 19.5
🔗 www.lumi-supercomputer.eu/open-positio...
Reposted
The manuscript describing the new modular version of HADDOCK is finally available as a preprint! The result of a team work over several years, supported by @bioexcelcoe.bsky.social @bijvoet-centre.bsky.social @esciencecenter.bsky.social - www.biorxiv.org/content/10.1...
May 7, 2025 at 3:50 PM
The manuscript describing the new modular version of HADDOCK is finally available as a preprint! The result of a team work over several years, supported by @bioexcelcoe.bsky.social @bijvoet-centre.bsky.social @esciencecenter.bsky.social - www.biorxiv.org/content/10.1...
Three days of intensive introduction to the main methods in computational chemistry coupled with lots of interaction among the participants and exposure to Finnish culture: obviously sauna, but this time also mämmi!
Last day of this year's Computational Chemistry Spring School held @CSCfi
✅Classic #moleculardynamics
✅Electronic structure theory
✅#AI in chemistry
✅Hands-on tutorials running on supercomputer GPUs
✅Poster session & networking
🌍24 participants / 8 countries
#compchem
✅Classic #moleculardynamics
✅Electronic structure theory
✅#AI in chemistry
✅Hands-on tutorials running on supercomputer GPUs
✅Poster session & networking
🌍24 participants / 8 countries
#compchem
April 25, 2025 at 8:50 AM
Three days of intensive introduction to the main methods in computational chemistry coupled with lots of interaction among the participants and exposure to Finnish culture: obviously sauna, but this time also mämmi!
Reposted
Join us for our next webinar where Andrej Antalík will introduce the MiMiC framework for multiscale modeling in computational chemistry
🗓️ 13 May 2025, 15:00 CET
✍️ Sign up: bioexcel.eu/l4rd
#moleculardynamics #qmmm #compchem
🗓️ 13 May 2025, 15:00 CET
✍️ Sign up: bioexcel.eu/l4rd
#moleculardynamics #qmmm #compchem
Webinar: MiMiC: A high-performance framework for multiscale molecular dynamics simulations (2025-5-13)
Date: 13 May 2025
Time: 15:00 CEST
Registration
Abstract
These days, computational chemists can choose from a wide variety of software packages, each with its own unique features and strengths. Man...
bioexcel.eu
April 22, 2025 at 10:47 AM
Join us for our next webinar where Andrej Antalík will introduce the MiMiC framework for multiscale modeling in computational chemistry
🗓️ 13 May 2025, 15:00 CET
✍️ Sign up: bioexcel.eu/l4rd
#moleculardynamics #qmmm #compchem
🗓️ 13 May 2025, 15:00 CET
✍️ Sign up: bioexcel.eu/l4rd
#moleculardynamics #qmmm #compchem
Reposted
📣 Attention researchers and RDI professionals seeking expertise in high-performance computing and programming!
♦️ Register now for the The CSC Summer School in High Performance Computing, 24.6.2025 - 3.7.2025 in Nuuksio
Watch also the video of students´ experiences
➡️ csc.fi/koulutuskale...
♦️ Register now for the The CSC Summer School in High Performance Computing, 24.6.2025 - 3.7.2025 in Nuuksio
Watch also the video of students´ experiences
➡️ csc.fi/koulutuskale...
April 11, 2025 at 12:50 PM
📣 Attention researchers and RDI professionals seeking expertise in high-performance computing and programming!
♦️ Register now for the The CSC Summer School in High Performance Computing, 24.6.2025 - 3.7.2025 in Nuuksio
Watch also the video of students´ experiences
➡️ csc.fi/koulutuskale...
♦️ Register now for the The CSC Summer School in High Performance Computing, 24.6.2025 - 3.7.2025 in Nuuksio
Watch also the video of students´ experiences
➡️ csc.fi/koulutuskale...
Reposted
🎓Summer Training for researchers and R&D professionals!
♦️ CSC Summer School in High-Performance Computing 2025, on 24.6.2025-3.7.2025 in Nuuksio.
📌 Lectures &hands-on training in parallel computing etc.
🍎 Please read more, watch the video of student experiences and register now:➡️ lnkd.in/dvTJ9HBj
♦️ CSC Summer School in High-Performance Computing 2025, on 24.6.2025-3.7.2025 in Nuuksio.
📌 Lectures &hands-on training in parallel computing etc.
🍎 Please read more, watch the video of student experiences and register now:➡️ lnkd.in/dvTJ9HBj
March 27, 2025 at 12:20 PM
🎓Summer Training for researchers and R&D professionals!
♦️ CSC Summer School in High-Performance Computing 2025, on 24.6.2025-3.7.2025 in Nuuksio.
📌 Lectures &hands-on training in parallel computing etc.
🍎 Please read more, watch the video of student experiences and register now:➡️ lnkd.in/dvTJ9HBj
♦️ CSC Summer School in High-Performance Computing 2025, on 24.6.2025-3.7.2025 in Nuuksio.
📌 Lectures &hands-on training in parallel computing etc.
🍎 Please read more, watch the video of student experiences and register now:➡️ lnkd.in/dvTJ9HBj
Reposted
You might have already seen Jupyter being used in programming courses, but did you know that it can also be a useful tool for sharing your research code, including documentation?
Jupyter can also be used for collaboration and prototyping on platforms like Noppe (by @csc.fi): noppe.csc.fi
Jupyter can also be used for collaboration and prototyping on platforms like Noppe (by @csc.fi): noppe.csc.fi
March 17, 2025 at 2:51 PM
You might have already seen Jupyter being used in programming courses, but did you know that it can also be a useful tool for sharing your research code, including documentation?
Jupyter can also be used for collaboration and prototyping on platforms like Noppe (by @csc.fi): noppe.csc.fi
Jupyter can also be used for collaboration and prototyping on platforms like Noppe (by @csc.fi): noppe.csc.fi
Reposted
🚀 The CSC Summer School in #HPC is back! Join us in Nuuksio, Espoo, on June 24–July 3, 2025, for 10 days of coding, learning, and Nordic summer vibes. Early bird registration closes March 14 – don’t miss out! 🌲💻🔥
More info & sign-up: csc.fi/koulutuskale...
More info & sign-up: csc.fi/koulutuskale...
CSC Summer School in High-Performance Computing 2025 - CSC
CSC Summer School in High-Performance Computing in Nuuksio The CSC Summer School brings together students and researchers in different disciplines of scientific computing from all over the world. The ...
csc.fi
February 27, 2025 at 2:40 PM
🚀 The CSC Summer School in #HPC is back! Join us in Nuuksio, Espoo, on June 24–July 3, 2025, for 10 days of coding, learning, and Nordic summer vibes. Early bird registration closes March 14 – don’t miss out! 🌲💻🔥
More info & sign-up: csc.fi/koulutuskale...
More info & sign-up: csc.fi/koulutuskale...
Reposted
🚀 Exciting news! The CodeRefinery workshop is coming up, and CSC is a project partner!
📍 Join our in-person learning room at CSC headquarters in Keilaniemi for a great learning experience.
🔗 Register with your organizational email to get an invite to the on-site event.
📍 Join our in-person learning room at CSC headquarters in Keilaniemi for a great learning experience.
🔗 Register with your organizational email to get an invite to the on-site event.
⚒️ CodeRefinery free online workshop on tools and techniques for more reproducible research; six half-days March 25-27 and April 1-3, 2025
More info and registration: coderefinery.github.io/2025-03-25-w...
#RSEng #FAIR #researchsoftware #git
More info and registration: coderefinery.github.io/2025-03-25-w...
#RSEng #FAIR #researchsoftware #git
CodeRefinery workshop March 25-27 and April 1-3, 2025
Free workshop on git, testing, documentation, and more in a workshop - for researchers and scientists.
coderefinery.github.io
February 28, 2025 at 7:14 AM
🚀 Exciting news! The CodeRefinery workshop is coming up, and CSC is a project partner!
📍 Join our in-person learning room at CSC headquarters in Keilaniemi for a great learning experience.
🔗 Register with your organizational email to get an invite to the on-site event.
📍 Join our in-person learning room at CSC headquarters in Keilaniemi for a great learning experience.
🔗 Register with your organizational email to get an invite to the on-site event.
The majority of 2025 allocatable LUMI-G resources for groups affiliated at Finnish universities are allocated now! If your computing capacity needs approach 2e10^5 GPUh consider this call!
The application period has been extended until March 7 - more details on @lumi-supercomputer.eu website! 👇
📢 Finnish researchers, don’t miss out! The 2025 LUMI Extreme Scale Access call is open! Get GPU/CPU compute time + storage for innovative research.
✅ Open to academia & industry
✅ Results should lead to open IP & publications
🗓 Apply by 28.2
Details & apply: lumi-supercomputer.eu/finnish-extr...
✅ Open to academia & industry
✅ Results should lead to open IP & publications
🗓 Apply by 28.2
Details & apply: lumi-supercomputer.eu/finnish-extr...
February 28, 2025 at 12:11 PM
The majority of 2025 allocatable LUMI-G resources for groups affiliated at Finnish universities are allocated now! If your computing capacity needs approach 2e10^5 GPUh consider this call!
Reposted
Our webinar on Cryo-EM structure refinement with density guided simulations in GROMACS is less than a couple of weeks away
Register here ➡️ bit.ly/41b6L7W
Register here ➡️ bit.ly/41b6L7W
Interested in #CryoEM structure refinement?
Then this #webinar is for you: "Cryo-EM structure refinement with density-guided simulations in #GROMACS"
🗓️ 4 March 2025, 15:00 CET
Registration & further info ➡️ bit.ly/41b6L7W
Then this #webinar is for you: "Cryo-EM structure refinement with density-guided simulations in #GROMACS"
🗓️ 4 March 2025, 15:00 CET
Registration & further info ➡️ bit.ly/41b6L7W
February 21, 2025 at 4:15 PM
Our webinar on Cryo-EM structure refinement with density guided simulations in GROMACS is less than a couple of weeks away
Register here ➡️ bit.ly/41b6L7W
Register here ➡️ bit.ly/41b6L7W
Reposted
✨The CSC Scientific Computing Ambassadors act as a bridge between researchers and CSC specialists. Read more about the Ambassador program and join the online CSC Research Support Coffee session on 📅 Wednesday 26 February at 14:00, where the program will be introduced 👉 csc.fi/en/blog/csc-...
February 18, 2025 at 12:00 PM
✨The CSC Scientific Computing Ambassadors act as a bridge between researchers and CSC specialists. Read more about the Ambassador program and join the online CSC Research Support Coffee session on 📅 Wednesday 26 February at 14:00, where the program will be introduced 👉 csc.fi/en/blog/csc-...
Reposted
I have two open postdoctoral researcher positions in my group. I am looking for applicants with interest and expertise in computational structural biology and research software development. These positions are part of GANANA, a collaborative European/Indian project Check www.uu.nl/en/organisat...
Postdoc position in computational structural biology
Join our team and contribute to the development of HADDOCK, our integrative modelling software, as part of an exciting EU-India research collaboration.
www.uu.nl
February 14, 2025 at 6:01 PM
I have two open postdoctoral researcher positions in my group. I am looking for applicants with interest and expertise in computational structural biology and research software development. These positions are part of GANANA, a collaborative European/Indian project Check www.uu.nl/en/organisat...
Reposted
Interested in #CryoEM structure refinement?
Then this #webinar is for you: "Cryo-EM structure refinement with density-guided simulations in #GROMACS"
🗓️ 4 March 2025, 15:00 CET
Registration & further info ➡️ bit.ly/41b6L7W
Then this #webinar is for you: "Cryo-EM structure refinement with density-guided simulations in #GROMACS"
🗓️ 4 March 2025, 15:00 CET
Registration & further info ➡️ bit.ly/41b6L7W
February 11, 2025 at 9:07 AM
Interested in #CryoEM structure refinement?
Then this #webinar is for you: "Cryo-EM structure refinement with density-guided simulations in #GROMACS"
🗓️ 4 March 2025, 15:00 CET
Registration & further info ➡️ bit.ly/41b6L7W
Then this #webinar is for you: "Cryo-EM structure refinement with density-guided simulations in #GROMACS"
🗓️ 4 March 2025, 15:00 CET
Registration & further info ➡️ bit.ly/41b6L7W
Reposted
⏱️The clock is ticking..
..only 2 weeks left until the deadline for applications to our highly recommended Summer School 2025 on Biomolecular Simulations ⭐️
❗️ Note some of the requisites, e.g. support letter and poster abstract, before you can submit your application ➡️ bit.ly/4ihQCUI
..only 2 weeks left until the deadline for applications to our highly recommended Summer School 2025 on Biomolecular Simulations ⭐️
❗️ Note some of the requisites, e.g. support letter and poster abstract, before you can submit your application ➡️ bit.ly/4ihQCUI
January 30, 2025 at 9:51 AM
⏱️The clock is ticking..
..only 2 weeks left until the deadline for applications to our highly recommended Summer School 2025 on Biomolecular Simulations ⭐️
❗️ Note some of the requisites, e.g. support letter and poster abstract, before you can submit your application ➡️ bit.ly/4ihQCUI
..only 2 weeks left until the deadline for applications to our highly recommended Summer School 2025 on Biomolecular Simulations ⭐️
❗️ Note some of the requisites, e.g. support letter and poster abstract, before you can submit your application ➡️ bit.ly/4ihQCUI
Reposted
This year's version of GROMACS is out!
If you want to hear about the new features and performance improvements join our #webinar on 18 February 2025
Registration ➡️ bit.ly/40Ebbme
#moleculardynamics
If you want to hear about the new features and performance improvements join our #webinar on 18 February 2025
Registration ➡️ bit.ly/40Ebbme
#moleculardynamics
January 29, 2025 at 7:02 AM
This year's version of GROMACS is out!
If you want to hear about the new features and performance improvements join our #webinar on 18 February 2025
Registration ➡️ bit.ly/40Ebbme
#moleculardynamics
If you want to hear about the new features and performance improvements join our #webinar on 18 February 2025
Registration ➡️ bit.ly/40Ebbme
#moleculardynamics
Summer seems still far away, but actually there's less than one month time to register! Take a look at this video to get into the summer school mood: www.youtube.com/watch?v=ad9E...
January 16, 2025 at 1:58 PM
Summer seems still far away, but actually there's less than one month time to register! Take a look at this video to get into the summer school mood: www.youtube.com/watch?v=ad9E...
Reposted
☝️Don't forget to register for our webinar by Attilio Vargiu from University of Cagliari on "Accounting for protein and ligand flexibility in #moleculardocking and #virtualscreening of challenging targets"
🗓️ 28 January 2025, 15:00 CET
➡️ bit.ly/40q3gKG
#webinar #compchem
🗓️ 28 January 2025, 15:00 CET
➡️ bit.ly/40q3gKG
#webinar #compchem
January 16, 2025 at 10:24 AM
☝️Don't forget to register for our webinar by Attilio Vargiu from University of Cagliari on "Accounting for protein and ligand flexibility in #moleculardocking and #virtualscreening of challenging targets"
🗓️ 28 January 2025, 15:00 CET
➡️ bit.ly/40q3gKG
#webinar #compchem
🗓️ 28 January 2025, 15:00 CET
➡️ bit.ly/40q3gKG
#webinar #compchem
Reposted
Hands-on guide to workshop with researchers on Licensing Data and Code – Key Steps Towards Reusability #FAIRprinciples #OpenScience #ResearchPractice zenodo.org/records/1464...
January 15, 2025 at 7:03 AM
Hands-on guide to workshop with researchers on Licensing Data and Code – Key Steps Towards Reusability #FAIRprinciples #OpenScience #ResearchPractice zenodo.org/records/1464...