#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).