MDAnalysis

#compchem | organic semiconductors | functional biomaterials | polymers | @mdanalysis core dev | made in Sardinia 🏳️‍🌈 she/her

RSE at CSCS (Swiss National Supercomputing Center) | MDAnalysis Core Developer | JOSS Editor | Interested in #HPC, Computational Chemistry, and Materials Science

PhD student at Imperial College London- interested in all things biophysics and biochemistry. I am currently working on modelling collagen and bone using molecular dynamics and DFT.

Science lead at Open Force Field. Core developer at MDAnalysis. Has never met an opossum.

https://westpa.github.io Open-source, highly scalable software for running weighted ensemble simulations with any dynamics engine, including MD (e.g., Amber, OpenMM) and systems biology engines (BioNetGen). We are part of the @omsf.bsky.social consortium.

Open Code = Better Science NumFOCUS is a 501(c)(3) nonprofit that supports and promotes world-class, innovative, open source scientific computing.

Machine learning in Python • Open Source https://scikit-learn.org

Probabilistic Programming and Bayesian Modeling in Python

Python library for creating static, animated, & interactive visualizations. Chat w/ us @ https://discourse.matplotlib.org/ Sponsored by NumFocus

SciPy 2026 Conference for Scientific and Technical Computing topics in Python. Tutorials July 13-14, Conference July 15-17, Sprints July 18-19.

Julia is a high-level, dynamic programming language built for technical computing. Official Bluesky account of the Julia Language Project #JuliaLang

A community effort to develop a common core package for Astronomy in Python and foster an ecosystem of interoperable astronomy packages. Web: astropy.org Source: github.com/astropy/astropy Docs: docs.astropy.org Tutorials: learn.astropy.org

We are a community that fosters a culture that values open and reproducible research using shared data and reusable software. We develops #RStats based tools and […] [bridged from https://hachyderm.io/@rOpenSci on the fediverse by https://fed.brid.gy/ ]

A community led collection of recipes, build infrastructure and distributions for the conda package manager. https://conda-forge.org

Announcements about Blosc2 developments https://blosc.org

Dask natively scales Python Dask provides advanced parallelism for analytics, enabling performance at scale for the tools you love https://dask.org

Chunked, Compressed, & Cloud-native N-dimensional arrays See https://zarr.dev/ for more information.

Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks.

Bioconductor: Free, open-source software for rigorous, reproducible biological data analysis with R. Join our diverse community of developers and data scientists. https://bioconductor.org/

Foundational tools for omics data (mostly in python).

A community for open, reproducible, scalable geoscience. Join us at https://www.pangeo.io/

Fortran programming language. Powering the world since 1956. Latest edition is Fortran 2023. The next one is Fortran 2028. https://fortran-lang.org/

Dynare is a software platform for solving, simulating and estimating a wide class of economic models. https://www.dynare.org

Scientific animator, structural biologist, creator of #MolecularNodes bradyajohnston.github.io/MolecularNodes/

ML Scientist @ ENPICOM B.V. (Den Bosch, Netherlands) computational biology, ML, protein design, cheminformatics, fancy dev tooling, tinge of bouldering https://marinegor.dev

Cheminformatics, Open-source software, Machine-learning 🤖 Developer of ProLIF and mols2grid 🐱‍💻 Bass and video games 🎸🎮 Oxford, UK

Computational biophysicists at Arizona State University; MDAnalysis (@MDAnalysis.bsky.social) developer. Opinions my own. Research Group: https://becksteinlab.physics.asu.edu/ MDAnalysis: https://www.mdanalysis.org/

A NumFOCUS initiative aimed at accelerating scientific research and discovery by improving the ways open source in science gets done. Learn more: https://opensource.science

Generally lost in alchemical space - Science Lead at Open Free Energy, Emeritus MDAnalysis core developer. You can find me on github at @IAlibay and sometimes in Macclesfield (UK).