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Kohulan Rajan<p>New Preprint Alert!</p><p>We're excited to share our latest work on <a href="https://mastodon.social/tags/ChemRxiv" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ChemRxiv</span></a>! MARCUS (Molecular Annotation and Recognition for Curating Unravelled Structures) is a web-based platform for extracting chemical information from scientific papers.</p><p>📄 Preprint: <a href="https://doi.org/10.26434/chemrxiv-2025-9p1q1" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">doi.org/10.26434/chemrxiv-2025</span><span class="invisible">-9p1q1</span></a></p><p>🔗 Try it out: <a href="https://marcus.decimer.ai" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="">marcus.decimer.ai</span><span class="invisible"></span></a></p><p><a href="https://mastodon.social/tags/Cheminformatics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Cheminformatics</span></a> <a href="https://mastodon.social/tags/OpenScience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>OpenScience</span></a> <a href="https://mastodon.social/tags/ChemicalDatabases" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ChemicalDatabases</span></a> <a href="https://mastodon.social/tags/AIinScience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>AIinScience</span></a> <a href="https://mastodon.social/tags/ScientificSoftware" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ScientificSoftware</span></a> <a href="https://mastodon.social/tags/ResearchTools" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ResearchTools</span></a></p>
Christian Meesters<p>Interested in <a href="https://fediscience.org/tags/MPI" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>MPI</span></a> and <a href="https://fediscience.org/tags/OpenMP" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>OpenMP</span></a> parallel programming to speed up your scientific applications written in <a href="https://fediscience.org/tags/C" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>C</span></a>, <a href="https://fediscience.org/tags/Cpp" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Cpp</span></a>, <a href="https://fediscience.org/tags/Fortran" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Fortran</span></a> or <a href="https://fediscience.org/tags/Python" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Python</span></a> (with <a href="https://fediscience.org/tags/numpy" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>numpy</span></a>)?</p><p>Attend our course in <a href="https://fediscience.org/tags/Mainz" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Mainz</span></a> at the Johannes Gutenberg University (<a href="https://fediscience.org/tags/JGU" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>JGU</span></a>) for a 4-day course from 1. April to 4. April 2025!</p><p>See our announcement page for further details and to register: <a href="https://indico.zdv.uni-mainz.de/event/34/" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">indico.zdv.uni-mainz.de/event/</span><span class="invisible">34/</span></a></p><p>Note, it is an on-site course.</p><p><a href="https://fediscience.org/tags/RSE" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>RSE</span></a> <a href="https://fediscience.org/tags/HPC" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>HPC</span></a> <a href="https://fediscience.org/tags/scientificsoftware" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>scientificsoftware</span></a></p>
jonny (good kind)<p>Here's an ~ official ~ release announcement for <a href="https://neuromatch.social/tags/numpydantic" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>numpydantic</span></a></p><p>repo: <a href="https://github.com/p2p-ld/numpydantic" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="">github.com/p2p-ld/numpydantic</span><span class="invisible"></span></a><br>docs: <a href="https://numpydantic.readthedocs.io" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="">numpydantic.readthedocs.io</span><span class="invisible"></span></a></p><p>Problems: <span class="h-card" translate="no"><a href="https://fosstodon.org/@pydantic" class="u-url mention" rel="nofollow noopener" target="_blank">@<span>pydantic</span></a></span> is great for modeling data!! but at the moment it doesn't support array data out of the box. Often array shape and dtype are as important as whether something is an array at all, but there isn't a good way to specify and validate that with the Python type system. Many data formats and standards couple their implementation very tightly with their schema, making them less flexible, less interoperable, and more difficult to maintain than they could be. The existing tools for parameterized array types like nptyping and jaxtyping tie their annotations to a specific array library, rather than allowing array specifications that can be abstract across implementations.</p><p><code>numpydantic</code> is a super small, few-dep, and well-tested package that provides generic array annotations for pydantic models. Specify an array along with its shape and dtype and then use that model with any array library you'd like! Extending support for new array libraries is just subclassing - no PRs or monkeypatching needed. The type has some magic under the hood that uses pydantic validators to give a uniform array interface to things that don't usually behave like arrays - pass a path to a video file, that's an array. pass a path to an HDF5 file and a nested array within it, that's an array. We take advantage of the rest of pydantic's features too, including generating rich JSON schema and smart array dumping.</p><p>This is a standalone part of my work with <span class="h-card" translate="no"><a href="https://fosstodon.org/@linkml" class="u-url mention" rel="nofollow noopener" target="_blank">@<span>linkml</span></a></span> <a href="https://linkml.io/linkml/schemas/arrays.html" rel="nofollow noopener" target="_blank">arrays</a> and rearchitecting neurobio data formats like NWB to be dead simple to use and extend, integrating with the tools you already use and across the experimental process - specify your data in a simple <code>yaml</code> format, and get back high quality data modeling code that is standards-compliant out of the box and can be used with arbitrary backends. One step towards the wild exuberance of FAIR data that is just as comfortable in the scattered scripts of real experimental work as it is in carefully curated archives and high performance computing clusters. Longer term I'm trying to abstract away data store implementations to bring content-addressed p2p data stores right into the python interpreter as simply as if something was born in local memory. </p><p>plenty of <a href="https://numpydantic.readthedocs.io/en/latest/todo.html" rel="nofollow noopener" target="_blank">todos</a>, but hope ya like it.</p><p><a href="https://neuromatch.social/tags/linkml" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>linkml</span></a> <a href="https://neuromatch.social/tags/python" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>python</span></a> <a href="https://neuromatch.social/tags/NewWork" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>NewWork</span></a> <a href="https://neuromatch.social/tags/pydantic" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>pydantic</span></a> <a href="https://neuromatch.social/tags/ScientificSoftware" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ScientificSoftware</span></a></p>
Christian Meesters<p>Time for a re-<a href="https://fediscience.org/tags/introduction" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>introduction</span></a> !</p><p>I'm a <a href="https://fediscience.org/tags/scicomm" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>scicomm</span></a> enthusiast and board member of <a href="https://fediscience.org/tags/Fediscience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Fediscience</span></a>. My background is in <a href="https://fediscience.org/tags/Biophysics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Biophysics</span></a>, done a Postdoc in <a href="https://fediscience.org/tags/GeneticEpidemiology" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>GeneticEpidemiology</span></a>, industry detour, now working in <a href="https://fediscience.org/tags/HPC" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>HPC</span></a> for some years.</p><p>Interested in <a href="https://fediscience.org/tags/HPC" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>HPC</span></a>, <a href="https://fediscience.org/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>bioinformatics</span></a>, <a href="https://fediscience.org/tags/OpenScience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>OpenScience</span></a>, <a href="https://fediscience.org/tags/workflows" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>workflows</span></a> (<a href="https://fediscience.org/tags/snakemake" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>snakemake</span></a>), <a href="https://fediscience.org/tags/RDM" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>RDM</span></a>, <a href="https://fediscience.org/tags/scientificsoftware" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>scientificsoftware</span></a> and <a href="https://fediscience.org/tags/sciencecommunication" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>sciencecommunication</span></a> </p><p>My blog can be found here: blogs.fediscience.org and my more political me can be found at <span class="h-card" translate="no"><a href="https://mastodon.m1234.de/@rupdecat" class="u-url mention" rel="nofollow noopener" target="_blank">@<span>rupdecat@mastodon.m1234.de</span></a></span>.</p>
Anthony Horton<p>Niche interest news: today, after about 3 years of development, we tagged PyCPL 1.0.0 for release.</p><p>If writing data reduction pipeline software for European Southern Observatory astronomical instruments is for you, and you'd like to do it in Python, then maybe PyCPL is right up your alley. Look out for the new stable release on the ESO webpages in the next few weeks: <a href="https://www.eso.org/sci/software/pycpl/" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="">eso.org/sci/software/pycpl/</span><span class="invisible"></span></a></p><p>I've decided to mark the occasion with a Bavarian beer, in honour of our colleagues at ESO HQ in Garching bei München.</p><p><a href="https://aus.social/tags/Astrodon" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Astrodon</span></a> <a href="https://aus.social/tags/ESO" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ESO</span></a> <a href="https://aus.social/tags/ScientificSoftware" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ScientificSoftware</span></a> <a href="https://aus.social/tags/ScientificPython" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ScientificPython</span></a></p>
WeAreSeismica<p>You have spent countless hours on your code. It is time for your hard work to pay off. <br>Document and publish your code as a software report with Seismica and let it shine!</p><p>Find out more at:</p><p><a href="https://seismica.library.mcgill.ca/author-guidelines/#publication-types" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">seismica.library.mcgill.ca/aut</span><span class="invisible">hor-guidelines/#publication-types</span></a></p><p><a href="https://mastodon.social/tags/Seismology" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Seismology</span></a> <a href="https://mastodon.social/tags/EarthquakeScience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>EarthquakeScience</span></a> <a href="https://mastodon.social/tags/OpenAcces" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>OpenAcces</span></a> <a href="https://mastodon.social/tags/Scientificjournals" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Scientificjournals</span></a> <a href="https://mastodon.social/tags/DiamondOpenAccess" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>DiamondOpenAccess</span></a> <a href="https://mastodon.social/tags/scientificsoftware" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>scientificsoftware</span></a> <a href="https://mastodon.social/tags/peerreviewed" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>peerreviewed</span></a></p>
Christian Meesters<p>Time for an <a href="https://fediscience.org/tags/introduction" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>introduction</span></a> ! It's my 3rd or 4th day. Thanks for having me here. 😀 </p><p>My background: PhD in <a href="https://fediscience.org/tags/Biophysics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Biophysics</span></a>, PostDoc in <a href="https://fediscience.org/tags/GeneticEpidemiology" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>GeneticEpidemiology</span></a>, industry detour, now working in <a href="https://fediscience.org/tags/HPC" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>HPC</span></a> for ~8y. </p><p>Interested in <a href="https://fediscience.org/tags/HPC" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>HPC</span></a>, <a href="https://fediscience.org/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>bioinformatics</span></a>, <a href="https://fediscience.org/tags/OpenScience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>OpenScience</span></a>, <a href="https://fediscience.org/tags/workflows" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>workflows</span></a> (<a href="https://fediscience.org/tags/snakemake" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>snakemake</span></a>), <a href="https://fediscience.org/tags/RDM" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>RDM</span></a>, <a href="https://fediscience.org/tags/scientificsoftware" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>scientificsoftware</span></a> and <a href="https://fediscience.org/tags/sciencecommunication" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>sciencecommunication</span></a> . </p><p>Former scienceblogger (German), now looking for a new plattform, since the current (scienceblogs.de) is closing down.</p>