📚 Full list of citations:
👉 alvascience.com/citations/
#QSAR #Cheminformatics #alvaDesc #Citations #ScientificSoftware #Alvascience #chemsky
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#scientificsoftware
Latest posts tagged with #scientificsoftware on Bluesky
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Posts tagged #scientificsoftware
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
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Google AI aims to make best-in-class scientific software even better. #AI #ScientificSoftware @Nature #TechnologyFeature
www.nature.com/articles/d41...
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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
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We’re excited to share that CrystalGrower will be exhibiting at the 2025 MRS Fall Meeting & Exhibit!
#f25mrs #crystalgrowth #materialsscience #researchinnovation #chemistry #scientificsoftware #crystallography #materialsresearch #innovationinscience
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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...
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🌍 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
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📖 I've seen plenty of prototypes and polished programs of LLMs searching for relevant lit, extracting data, and appraising its quality.
But no evaluations of its ability to synthesize the literature into a clear and accurate whole. 🧩
#metascience #AIinScience #LLM #scientificsoftware
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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
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Attending #JuliaCon 2025 in Pittsburgh? Join our hands-on #Dyad Studio workshop. Learn how Dyad blends declarative and imperative #modeling, explore Dyad Analysis, and extend models with your favorite packages. pretalx.com/juliacon-202...
#julialang #ModelBasedDesign #Simulation #ScientificSoftware
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At the request of a journal editor, I reviewed a paper by leading researchers on one of my favorite #chemistry topics - tautomers! This article was featured in the Journal of Cheminformatics. I am grateful for the #PeerReview certificate of recognition […]
[Original post on fosstodon.org]
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The 2025_03_1 release of #RDKit release includes my contribution to speed up part of getting 2D fingerprints for a molecule by ~75x! So if you generate #chemical fingerprints, now is a good time to upgrade.
Reminder that I'm #OpenToWork so if you're hiring for #cheminformatics or […]
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🔔 Slides & recordings from the 2025 Improving Scientific Software Conference are now available within the online conference program: sea.ucar.edu/iss/2025-pro...
Thanks to all who joined us—see you in 2026! #ISS2025 #ScientificSoftware
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If only open science repositories could be queried using natural language... For now, EF tasks may help?
#Metascience #ScientificSoftware
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Finding Tautomers title slide
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]
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IGMPlot 3.16.2 is here! (🗓️March 2025) 🔗 Get it free: 👉igmplot.univ-reims.fr 💻 #OpenSource – Made at @universitereims.bsky.social
🔍 Analyze intermolecular interactions like never before! 🧐💡🧬🧪👩💻🧑💻
#IGMPlot #CompChem #Molecular #Interactions #ScientificSoftware #OpenScience #TopCited #URCA
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Interested in #MPI and #OpenMP parallel programming to speed up your scientific applications written in #C, #Cpp, #Fortran or #Python (with #numpy)?
Attend our course in #Mainz at the Johannes Gutenberg University (#JGU) for a 4-day course from 1. April to 4. April 2025!
See our announcement […]
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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
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 🧵...
🔌💡
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Congrats to the 2025 BSSw Fellowship Class! Making #scientificsoftware & #developerproductivity better!
bssw.io/blog_posts/i...
#somycodewillseethefuture
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63 changed files with 2,591 additions and 20,528 deletions
You are welcome to contribute to my R packages. It is a great opportunity for anyone aspiring to transition from procedural empirical analysis code to package development. I will try to make the size of my commits more collaboration-friendly 😄. #rStats #openSource #scientificSoftware
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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
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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
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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.
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...
🔌💡
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Where is the Product Hunt for academic tools?
We should collectively rate the hardware and software needed for scholarship and help beta releases surface to millions of potential users.
#scientificsoftware
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One could write the same article and have it down in 3 steps. That isn't their market though. #scientificsoftware
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Actually, when GIS tries to be consumer consumable, it usually fails. #scientificsoftware
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