Roland Dunbrack 🏳️🌈 @rolanddunbrack.bsky.social Computational structural biologist. Gay, out & proud since 1986. I support transgender & nonbinary people. Living with CLL/SLL. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.
Buffer @buffer.com The social media management platform for scheduling, publishing & analytics across every major network. Plan your content calendar in one place. This account is managed by real humans. 💙
⬇️ buffer.com/bluesky
GlycoShape @glycoshape.org Glycan 3D database and toolbox for the reconstruction of glycoproteins from the RCSB PDB and EMBL-EBI AlphaFold repositories or own. Find us at https://glycoshape.org. Curated by head chef @elisafadda.bsky.social and sous chef @ojas-singh.bsky.social
WESTPA Software @westpasoftware.bsky.social 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.
Galaxy Project @galaxyproject.bsky.social The Galaxy Project powers global life sciences analytics by turning the world’s most advanced cyberinfrastructure into a free, browser-based analysis platform for everyone. https://galaxyproject.org/
OpenFold @openfold.io Democratizing BioAI
Open Free Energy @openfree.energy 
OMSF @omsf.io the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
Xavier M @n3zix.bsky.social Scientific developer / Head of scientific informatics @Nanome, ex UnityMol dev at CNRS
Molecular visualization, bioinformatics, drug discovery, VR, Unity, GPGPU...
Python Package Index @pypi.org The Python Package Index (PyPI) is the repository of software for the Python programming language. Pronounced 🥧 🫛 👁️
Python Software Foundation @python.org The nonprofit organization behind the Python programming language. For help with Python code: http://python.org/about/help/
On Mastodon: @ThePSF@fosstodon.org
Prefix.dev - the Pixi company @prefix.dev Escape dependency hell with Pixi - your new favorite package manager!
Discord: https://discord.com/invite/kKV8ZxyzY4
Nicolas @nicolasn.bsky.social Chemist, spectroscopist, exp/theory.
www.youtube.com/c/niconeuman
Open Force Field @openforcefield.org 
Grimme Lab @grimmelab.bsky.social Development and application of efficient computational chemistry methods - based @unibonn.bsky.social.
This account is managed by group members of Prof. Stefan Grimme.
FACCTs @faccts.de FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
ChemShell @chemshell.bsky.social ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.
Website: chemshell.org
Bridgy Fed for the fediverse @ap.brid.gy Bridgy Fed (https://fed.brid.gy/) bot user for the fediverse. To bridge your account to the fediverse, follow this account.
To ask a fediverse user to bridge their account, send their address (eg @user@instance) to this account in a chat message.
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Jean-Philip Piquemal @jppiquem.bsky.social Professor of Theoretical Chemistry @sorbonne-universite.fr & Director @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social (My Views)
https://piquemalresearch.com | https://tinker-hp.org
Rocco Meli @rmeli.bsky.social RSE at CSCS (Swiss National Supercomputing Center) | MDAnalysis Core Developer | JOSS Editor | Interested in #HPC, Computational Chemistry, and Materials Science
Lily Wang @lilyminium.bsky.social Science lead at Open Force Field. Core developer at MDAnalysis. Has never met an opossum.
Greg Landrum @greglandrum.bsky.social Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
Dan Gezelter @gezelter.bsky.social Thinks about chemical education, theoretical chemistry, open science, molecular dynamics, and ice. The first “Dr. Who” for the Jmol team, Bagpiper, Dad. Chemistry Professor & Department Chair @ University of Notre Dame. Posts are my own.
Frederic Mentink-Vigier @dnpfred.bsky.social Physicist/Chemist at the National High Magnetic Field Laboratory who loves #compchem, spin dynamics, #MASDNP, and anything with electron/nuclear spins inside a magnetic field #NMRchat. Linux user, Matlab kind of expert, Orca and OpenMM newbie.
Adrian Roitberg @adrianroitberg.bsky.social Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
Marcus D. Hanwell @mhanwell.bsky.social Scientist, open sourcerer, love the beach. Work at NVIDIA. Opinions are my very own and not necessarily reflecting anyone else's! Be well
Geoff Hutchison @geoffhutchison.net Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
Open Babel @openbabel.org Open source cheminformatics toolkit
RDKit: Open source cheminformatics @rdkit.bsky.social https://www.rdkit.org
https://github.com/rdkit/rdkit
Science Friday @scifri.bsky.social Entertaining & educational conversations about science, tech, + more. Hosted by Ira Flatow and Flora Lichtman. From WNYCStudios.
Internet Archive @archive.org Internet Archive is a non-profit research library preserving web pages, books, movies & audio for public access. Explore web history via the Wayback Machine.