#scientificSoftware
LightNews LightNews
faccts.de
ORCA 7 is coming!

To celebrate the release, we’re hosting an online ORCA 7 Release Event on December 8 from 4–8 PM CET via Zoom.

Save the date and stay tuned!

#ORCA7 #ORCA #FACCTs #MPIKOFO #CompChemistry #QuantumChem #TheoChem #CompChem #DFT #ScientificSoftware #ChemSky
ORCA 7 Release Event
October 20, 2026 at 10:31 AM
faccts.de
Brace yourselves. ORCA 7 is coming!

Stay tuned!

#ORCA #FACCTs #MPIKOFO #CompChem #QuantumChem #TheoChem #DFT #WFT #ScientificSoftware
Brace yourselves. ORCA 7 is coming!
October 15, 2026 at 10:10 AM
vschpc.bsky.social
🛠️ Learn to create and modify build files in our hybrid training session:

CMake – Introduction

📅 7 Oct 2026 | 09:00–12:00 CEST
📍 ICTS KU Leuven or online
👨‍🏫 Mag Selwa

Register: www.vscentrum.be/events/cmake...

#CMake #HPC #ScientificSoftware
September 15, 2026 at 12:38 PM
mat3ra.bsky.social
🚀 𝗪𝗲’𝗿𝗲 𝗛𝗶𝗿𝗶𝗻𝗴 𝗮𝘁 𝗠𝗮𝘁𝟯𝗿𝗮

Help us build the future of digital materials R&D.

We are currently looking for:

☀️ 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗦𝗰𝗶𝗲𝗻𝘁𝗶𝘀𝘁
🤝 𝗖𝗼𝗺𝗺𝘂𝗻𝗶𝘁𝘆 𝗘𝘃𝗮𝗻𝗴𝗲𝗹𝗶𝘀𝘁
Explore the open positions: apply.workable.com/mat3ra/

#Hiring #MaterialsScience #ComputationalScience #AIJobs #ScientificSoftware
August 28, 2026 at 7:01 PM
eddsosa.bsky.social
New Module

image2text 🚀

Text from images / PDFs? Whether you're parsing lab reports, invoices, or scanned documents. image2text is a modular OCR pipeline
Clarity|Reproducibility|Control

📂 github.com/eddsosa/image2text

#Python #OCR #Tesseract #OpenSource #ScientificSoftware #image2text #PDFtoText
GitHub - eddsosa/image2text
Contribute to eddsosa/image2text development by creating an account on GitHub.
github.com
November 7, 2025 at 1:16 AM
esiwace-community.bsky.social
🌍 Hear from Xavier Yepes on how #ESiWACE3 helps boost #ClimateModels for pre-exascale!
Get free HPC engineering support: tuning, portability, profiling & more.

▶ Watch: youtu.be/intGJDQ-07E?...
Apply: www.esiwace.eu/services/sof...

#HPC #Exascale #ScientificSoftware #WeatherModels
Call for Proposals: Support on domain-specific tools and technologies
Description of the Open Call for Proposals on Support on domain-specific tools and technologies. Video by Latest Thinking More info here: https://www.esiwace.eu/services/software-support
youtu.be
August 24, 2025 at 8:58 AM
baam93.bsky.social
A decade of building scientific software taught me this: innovation lives where chemistry meets code—docs, UX, collaboration, and reproducibility are the real force multipliers. 💡🧪

#scientificsoftware #computationalchemistry What do you think?

https://idees.moleculair.es/chemistrycodes
October 26, 2025 at 2:16 PM
actacrystd.iucr.org
Capsules provide an integral part of the SBGrid platform, supporting streamlined access to the research-software ecosystem within the SBGrid collection, with generalizability to other domains #StructuralBiology #ScientificSoftware #FAIRPrinciples t.co/abYw9ipYCd
June 19, 2024 at 2:29 PM
actacrystd.iucr.org
Carol Herre et al.: Introduction of the Capsules environment to support further growth of the SBGrid structural biology software collection ##StructuralBiology##ScientificSoftware##FAIRPrinciples@otago...##IUCrhttps://journals.iucr.org/paper?S2059798324004881
Introduction of the Capsules environment to support further growth of the SBGrid structural biology software collection
The integration of Capsules within the SBGrid software-management platform marks a pivotal advancement in addressing the challenges of scientific software distribution, dependency management and computational reproducibility.
journals.iucr.org
June 5, 2024 at 12:00 AM
danielhuppmann.bsky.social
Standard time allocation in Python #scientificsoftware dev…

- implementing the feature I need:
5 minutes
- writing a good test for it:
10 minutes
- figuring out why pandas doesn’t execute the test assertion as I think it should…
15 minutes
July 23, 2025 at 9:19 AM
danielhuppmann.bsky.social
The Energy Climate & Environment program at @iiasa.ac.at had its quarterly meeting today (~100 researchers), so I had to reflect on our role as community data hub and what to present on behalf of the #ScenarioServices & #ScientificSoftware team.

ℹ️ iiasa.ac.at/themes/scena...

Time for a 🧵...
🔌💡
Screenshot of the page "Key indicators by chapter", an entrypoint to representative figures and key indicators from the State of CDR report (2024). Data Explorer in the SHAPE Scenario Explorer https://shape.apps.ece.iiasa.ac.at/explorer, showing emissions across the scenarios developed in SHAPE Social media preview of the pyam package for scenario analysis and data visualization, including status badges and logos of tools: GitHub, Read The Docs, Groups.io, Slack Preview from the GitHub repository "common-definitions" https://github.com/IAMconsortium/common-definitions for model comparison projects
January 17, 2025 at 4:52 PM
danielhuppmann.bsky.social
The #Energy #Climate & #Environment program at #IIASA is looking for an #IntegratedAssessment modeler to join the #MESSAGEix team!

Come work with us on policy-relevant scenarios and state-of-the-art #opensource #ScientificSoftware tools...
📝 iiasa.ac.at/employment/j...
🔌💡
Screenshot of the vacancy announcement for an Integrated Assessment Modeler The Integrated Assessment and Climate Change (IACC) Research Group within the Energy, Climate, and Environment (ECE) Program at IIASA seeks a strong candidate to help develop and extend the current global modeling framework used within the group. The successful candidate will work with a team of international scientists who also develop and use the framework to perform state-of-the-art scenario modeling and assessment.
April 6, 2024 at 4:33 AM
bffo.bsky.social
From @plos.org #Computational #Biology | Biomedical open source software: Crucial packages and hidden heroes | #Bioinformatics #RStats #Bioconductor #CRAN #PyPI #ScientificSoftware #Research #Education #OpenScience #OpenSource | 🧬🖥️🧪🔓
⬇️
journals.plos.org/ploscompbiol...
Biomedical open source software: Crucial packages and hidden heroes
Author summary Scientists today use software as an important tool for their research. The progress of science depends on the people who write software being properly recognized, rewarded, and incentiv...
journals.plos.org
May 14, 2026 at 12:36 PM
jsantoyo.bsky.social
Google AI aims to make best-in-class scientific software even better. #AI #ScientificSoftware @Nature #TechnologyFeature
www.nature.com/articles/d41...
Google AI aims to make best-in-class scientific software even better
An artificial-intelligence-guided software-evolution system tweaks tools to boost performance.
www.nature.com
November 3, 2025 at 10:15 AM
lusaimon.com
Are there really no users or products using SciTokens in their dependency chain within the scientific community?

#Science #ScientificSoftware #CVE
March 31, 2026 at 8:09 AM
c-ozwei.graz.social.ap.brid.gy
@daniel_huppmann

Gibt es Vorträge zum österreichischen Klimatag 2025 irgendwo zum Nachschauen?
Daniel Huppmann (@daniel_huppmann@mastodon.social)
1.67K Posts, 389 Following, 1.35K Followers · #Climate & #Energy research at #IIASA | author of #IPCC #SR15 (2018) | co-chair #AAR2 | board member Climate Change Center Austria (#CCCA) | #ScientistsForFuture | #FreeTheModels & #FAIRdata for #openscience Content: - 75% work: research on #Climate (mostly mitigation), #ScientificSoftware, #FAIRdata, #opensource & #freethemodels, ... (mostly English) - 20% Vienna politics related to my work expertise (trying to stay clear of party-politics, mostly German) - 5% random searchable
mastodon.social
April 26, 2025 at 10:54 AM
cageyjames.bsky.social
One could write the same article and have it down in 3 steps. That isn't their market though. #scientificsoftware
May 2, 2025 at 4:50 AM
cageyjames.bsky.social
Actually, when GIS tries to be consumer consumable, it usually fails. #scientificsoftware
May 2, 2025 at 4:49 AM
nfdi.de
#NFDI #NFDIxCS #ResearchData #ResearchSoftware #OpenScience #FAIRData #ComputerScience #ResearchInfrastructure #DataManagement #Reproducibility #ScientificSoftware #DigitalResearch #ReusableResearch #FAIRPrinciples
July 22, 2026 at 10:16 AM
jemonat.fosstodon.org.ap.brid.gy
I'm excited to present "Finding Tautomers" at the first North American #rdkit User Group Meeting in the #boston #ma area on Friday April 11!

Reminder that I'm #OpenToWork so if you're in the area and hiring for #Cheminformatics or #scientificsoftware […]

[Original post on fosstodon.org]
Finding Tautomers title slide
April 8, 2025 at 8:11 PM
etive.io
We recently released asimov 0.5.8 which contains a number of minor bug-fixes.

Available via pip and conda.

github.com/transientlun...

zenodo.org/records/1399...

#python #scientificSoftware #openSource
transientlunatic/asimov: v0.5.8
This is a bug-fix release, which does not introduce any new backwards-incompatible features, but provides a number of small quality-of-life improvements. These include bug-fixes to various aspects of ...
zenodo.org
November 12, 2024 at 5:18 PM
gonsie.com
Applications are being accepted for the 2026 BSSw Fellowship!!
Get recognized for your passion around high-quality scientific software to improve scientific productivity.

Receive up to $25,000 for an activity that promotes better
#scientificsoftware. More details:
bssw.io/blog_posts/a...
Applications Open for the 2026 BSSw Fellowship Program
Applications are now open for the 2026 BSSw Fellowship Program, which gives recognition and funding to leaders and advocates of high-quality scientific software.
bssw.io
August 26, 2025 at 5:55 PM
gonsie.com
Congrats to the 2025 BSSw Fellowship Class! Making #scientificsoftware & #developerproductivity better!

bssw.io/blog_posts/i...

#somycodewillseethefuture
Introducing the 2025 BSSw Fellows
We are pleased to announce the 2025 class of Better Scientific Software (BSSw) Fellows: five Fellows and five Honorable Mentions.
bssw.io
December 17, 2024 at 5:52 PM
faccts.de
Our paper on the #ORCA #Python Interface OPI is published in #JCTC!

pubs.acs.org/doi/full/10....

Check it out and join the OPI community.

OPI on GitHub: github.com/faccts/opi
OPI documentation: www.faccts.de/docs/opi/docs

#FACCTs #OPI #CompChem #QuantumChem #ScientificSoftware #OpenSource
ORCA Meets Python─The ORCA Python Interface OPI
The ORCA program suite is one of the most widely used quantum chemistry software packages. It features a wide range of electronic structure methods and algorithms for the prediction of molecular chemi...
pubs.acs.org
March 26, 2026 at 1:01 PM