Lovely to have to do this...
Generating a SI document of 1082 pages with #CompChem data. And no, this cannot be avoided, for two reasons:
1) we cannot trust that the iochem-bd server in Girona remains up
2) iochem-bd cannot handle AMS outputs yet
Generating a SI document of 1082 pages with #CompChem data. And no, this cannot be avoided, for two reasons:
1) we cannot trust that the iochem-bd server in Girona remains up
2) iochem-bd cannot handle AMS outputs yet
February 6, 2025 at 2:28 PM
Lovely to have to do this...
Generating a SI document of 1082 pages with #CompChem data. And no, this cannot be avoided, for two reasons:
1) we cannot trust that the iochem-bd server in Girona remains up
2) iochem-bd cannot handle AMS outputs yet
Generating a SI document of 1082 pages with #CompChem data. And no, this cannot be avoided, for two reasons:
1) we cannot trust that the iochem-bd server in Girona remains up
2) iochem-bd cannot handle AMS outputs yet
November 23, 2024 at 7:42 PM
#ICIQProjects
✨ And the #OpenScience Oscar goes to… #ioChem-BD!
💻 While Hollywood celebrates cinema, we are also celebrating that ioChem-BD has secured further funding through the #OSCARS initiative to expand its capabilities and reach.
Read more 📎 iciq.org/new/iochem-b...
@bsc-cns.bsky.social
✨ And the #OpenScience Oscar goes to… #ioChem-BD!
💻 While Hollywood celebrates cinema, we are also celebrating that ioChem-BD has secured further funding through the #OSCARS initiative to expand its capabilities and reach.
Read more 📎 iciq.org/new/iochem-b...
@bsc-cns.bsky.social
March 3, 2025 at 2:28 PM
#ICIQProjects
✨ And the #OpenScience Oscar goes to… #ioChem-BD!
💻 While Hollywood celebrates cinema, we are also celebrating that ioChem-BD has secured further funding through the #OSCARS initiative to expand its capabilities and reach.
Read more 📎 iciq.org/new/iochem-b...
@bsc-cns.bsky.social
✨ And the #OpenScience Oscar goes to… #ioChem-BD!
💻 While Hollywood celebrates cinema, we are also celebrating that ioChem-BD has secured further funding through the #OSCARS initiative to expand its capabilities and reach.
Read more 📎 iciq.org/new/iochem-b...
@bsc-cns.bsky.social
This project was generously funded by @leverhulme.ac.uk and actually concluded back in 2022 ... I presented this work in Singapore in late 2022, but since then there has been substantial additional DFT work to figure out what is going on.
DFT data are available on ioChem-BD: doi.org/10.19061/ioc...
DFT data are available on ioChem-BD: doi.org/10.19061/ioc...
doi.org
July 1, 2025 at 3:33 PM
This project was generously funded by @leverhulme.ac.uk and actually concluded back in 2022 ... I presented this work in Singapore in late 2022, but since then there has been substantial additional DFT work to figure out what is going on.
DFT data are available on ioChem-BD: doi.org/10.19061/ioc...
DFT data are available on ioChem-BD: doi.org/10.19061/ioc...
Playing with iochem-bd
February 26, 2025 at 3:38 PM
Playing with iochem-bd
Seminar on Research data management and HPC: the platform ioChem-BD
Carles Bo, Moises Álvarez and Diego Garay
Tuesday, 14.05.2024 at 10:00 (CEST, Berlin)
hpc.dh.nrw/en/events/rd...
#CompChem
Carles Bo, Moises Álvarez and Diego Garay
Tuesday, 14.05.2024 at 10:00 (CEST, Berlin)
hpc.dh.nrw/en/events/rd...
#CompChem
hpc.dh.nrw: RDM Seminar
hpc.dh.nrw
May 10, 2024 at 8:08 AM
Seminar on Research data management and HPC: the platform ioChem-BD
Carles Bo, Moises Álvarez and Diego Garay
Tuesday, 14.05.2024 at 10:00 (CEST, Berlin)
hpc.dh.nrw/en/events/rd...
#CompChem
Carles Bo, Moises Álvarez and Diego Garay
Tuesday, 14.05.2024 at 10:00 (CEST, Berlin)
hpc.dh.nrw/en/events/rd...
#CompChem
Why not simply use iochem-bd?
February 21, 2024 at 5:44 PM
Why not simply use iochem-bd?
#ICIQNews
⭐ #ioChem-BD secures further funding through the #OSCARS initiative.
🖥️ ioChem-BD is a software tool designed to streamline the management, storage and sharing of computational chemistry data.
Read more here 📎 iciq.org/new/iochem-b...
@cerca.cat @bist.eu @sommalliance.bsky.social
⭐ #ioChem-BD secures further funding through the #OSCARS initiative.
🖥️ ioChem-BD is a software tool designed to streamline the management, storage and sharing of computational chemistry data.
Read more here 📎 iciq.org/new/iochem-b...
@cerca.cat @bist.eu @sommalliance.bsky.social
ioChem-BD secures further funding through the OSCARS initiative - ICIQ
The ioChem-BD platform has been awarded funding through a cascading grant (Financial Support for Third Parties (FSTP)) mechanism from the Open Science Cloud for Advanced Research in Science (OSCARS). ...
iciq.org
January 22, 2025 at 2:37 PM
#ICIQNews
⭐ #ioChem-BD secures further funding through the #OSCARS initiative.
🖥️ ioChem-BD is a software tool designed to streamline the management, storage and sharing of computational chemistry data.
Read more here 📎 iciq.org/new/iochem-b...
@cerca.cat @bist.eu @sommalliance.bsky.social
⭐ #ioChem-BD secures further funding through the #OSCARS initiative.
🖥️ ioChem-BD is a software tool designed to streamline the management, storage and sharing of computational chemistry data.
Read more here 📎 iciq.org/new/iochem-b...
@cerca.cat @bist.eu @sommalliance.bsky.social
One example of this dataset with DOI 10.19061/iochem-bd-4-59:
doi.org/10.19061/ioc...
The nice thing: all visualization tools are there within the web; anyone can see molecules, IR or UV-Vis spectra, etc. (without having to download apps, which may or may not be available for your OS otherwise)
doi.org/10.19061/ioc...
The nice thing: all visualization tools are there within the web; anyone can see molecules, IR or UV-Vis spectra, etc. (without having to download apps, which may or may not be available for your OS otherwise)
ioChem-Find: The_Thioetherification_reaction
doi.org
February 21, 2024 at 8:07 PM
One example of this dataset with DOI 10.19061/iochem-bd-4-59:
doi.org/10.19061/ioc...
The nice thing: all visualization tools are there within the web; anyone can see molecules, IR or UV-Vis spectra, etc. (without having to download apps, which may or may not be available for your OS otherwise)
doi.org/10.19061/ioc...
The nice thing: all visualization tools are there within the web; anyone can see molecules, IR or UV-Vis spectra, etc. (without having to download apps, which may or may not be available for your OS otherwise)
I wasn't really aware of the capabilities of iochem-bd. Just that it was a repository. I will test it with some of my calculations! Thanks for the links I will check them out
February 22, 2024 at 12:51 PM
I wasn't really aware of the capabilities of iochem-bd. Just that it was a repository. I will test it with some of my calculations! Thanks for the links I will check them out
La iniciativa #ioChem-BD: a FAIR way to store, manage and share your computational chemistry data, presentada per la Gabriela Dias da Silva de @iciq.org
#FiraFAIRData2025 @uocuniversitat.bsky.social
#FiraFAIRData2025 @uocuniversitat.bsky.social
June 18, 2025 at 11:10 AM
La iniciativa #ioChem-BD: a FAIR way to store, manage and share your computational chemistry data, presentada per la Gabriela Dias da Silva de @iciq.org
#FiraFAIRData2025 @uocuniversitat.bsky.social
#FiraFAIRData2025 @uocuniversitat.bsky.social
#ICIQNews
📖The second edition of the ICIQ Open Data Day gathered around 80 attendees to discuss Open Science policies and receive training on data repositories ioChem-BD, CORA.RDR, and eChemPad
Read more 🔗 iciq.org/new/iciq-ope...
@cerca.cat @bist.eu
📖The second edition of the ICIQ Open Data Day gathered around 80 attendees to discuss Open Science policies and receive training on data repositories ioChem-BD, CORA.RDR, and eChemPad
Read more 🔗 iciq.org/new/iciq-ope...
@cerca.cat @bist.eu
ICIQ Open Data Day: A step forward in Open Science - ICIQ
The second edition of the ICIQ Open Data Day, held on 17 March 2025, gathered around 80 attendees to discuss Open Science policies and receive training on data repositories. The event focused on polic...
iciq.org
March 18, 2025 at 10:06 AM
#ICIQNews
📖The second edition of the ICIQ Open Data Day gathered around 80 attendees to discuss Open Science policies and receive training on data repositories ioChem-BD, CORA.RDR, and eChemPad
Read more 🔗 iciq.org/new/iciq-ope...
@cerca.cat @bist.eu
📖The second edition of the ICIQ Open Data Day gathered around 80 attendees to discuss Open Science policies and receive training on data repositories ioChem-BD, CORA.RDR, and eChemPad
Read more 🔗 iciq.org/new/iciq-ope...
@cerca.cat @bist.eu
🔬 Last, but not least: session 6 of #LoveDataWeek!
A huge thanks to Claudia Draxl (NoMaD), Valeria Granata (Materials Cloud), Carles Bo (ioChem-BD), and Ian Bruno (CCDC) for sharing how researchers in (computational) materials science & Crystallography can make their data FAIR & accessible.
A huge thanks to Claudia Draxl (NoMaD), Valeria Granata (Materials Cloud), Carles Bo (ioChem-BD), and Ian Bruno (CCDC) for sharing how researchers in (computational) materials science & Crystallography can make their data FAIR & accessible.
February 13, 2025 at 2:21 PM
🔬 Last, but not least: session 6 of #LoveDataWeek!
A huge thanks to Claudia Draxl (NoMaD), Valeria Granata (Materials Cloud), Carles Bo (ioChem-BD), and Ian Bruno (CCDC) for sharing how researchers in (computational) materials science & Crystallography can make their data FAIR & accessible.
A huge thanks to Claudia Draxl (NoMaD), Valeria Granata (Materials Cloud), Carles Bo (ioChem-BD), and Ian Bruno (CCDC) for sharing how researchers in (computational) materials science & Crystallography can make their data FAIR & accessible.
#ICIQEvents
🔊Registration is open for the FAIR Data in Chemistry
➡️Explore the latest advances in FAIR experimental and computational chemistry data, with contributions from
ioChem-BD, Chemotion, PANOSC and EOSC projects.
Info and register🔗 fairchemistry.iciq.es
@cerca.cat @scq.iec.cat
🔊Registration is open for the FAIR Data in Chemistry
➡️Explore the latest advances in FAIR experimental and computational chemistry data, with contributions from
ioChem-BD, Chemotion, PANOSC and EOSC projects.
Info and register🔗 fairchemistry.iciq.es
@cerca.cat @scq.iec.cat
July 8, 2026 at 8:32 AM
#ICIQEvents
🔊Registration is open for the FAIR Data in Chemistry
➡️Explore the latest advances in FAIR experimental and computational chemistry data, with contributions from
ioChem-BD, Chemotion, PANOSC and EOSC projects.
Info and register🔗 fairchemistry.iciq.es
@cerca.cat @scq.iec.cat
🔊Registration is open for the FAIR Data in Chemistry
➡️Explore the latest advances in FAIR experimental and computational chemistry data, with contributions from
ioChem-BD, Chemotion, PANOSC and EOSC projects.
Info and register🔗 fairchemistry.iciq.es
@cerca.cat @scq.iec.cat
I'm finishing a paper with SuppInfo of 142 pages, and am looking for volunteers that I can put as suggested reviewer...
(and no, could not use iochem-bd for these programs yet)
(and no, could not use iochem-bd for these programs yet)
August 14, 2023 at 11:31 AM
I'm finishing a paper with SuppInfo of 142 pages, and am looking for volunteers that I can put as suggested reviewer...
(and no, could not use iochem-bd for these programs yet)
(and no, could not use iochem-bd for these programs yet)
recent news by @iciq.org said that #Iochem-BD has #OSCARS funding from EU for next 4 years…
What am I missing?
What am I missing?
February 9, 2025 at 10:51 AM
recent news by @iciq.org said that #Iochem-BD has #OSCARS funding from EU for next 4 years…
What am I missing?
What am I missing?