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).https://bsky.app/profile/ialibay.bsky.socialhttps://bsky.app/profile/ialibay.bsky.social/post/3mbzyum6pos2tInterested in what @omsf.io is up to? Here's a perspective on the role of open source in molecular modelling software and how the OMSF is developing an ecosystem of open tools: https://chemrxiv.org/engage/chemrxiv/article-details/69430a5e6e8e74030e0d723910 Jan 2026 02:50 +0000at://did:plc:fxel7pglrizplk3olkcdbzsp/app.bsky.feed.post/3mbzyum6pos2thttps://bsky.app/profile/ialibay.bsky.social/post/3mamj4auk4s2jMy first corresponding author publication and it's a big one! It's been a long and complicated process, but the team did an amazing job with it. [contains quote post or other embedded content]23 Dec 2025 00:38 +0000at://did:plc:fxel7pglrizplk3olkcdbzsp/app.bsky.feed.post/3mamj4auk4s2jhttps://bsky.app/profile/ialibay.bsky.social/post/3lpmzmtmt7c2cInterested in learning more about @mdanalysis.bsky.social , simulation streaming and lots of cool molecular simulation tools? Come to the MDAnalysis 2025 UGM! [contains quote post or other embedded content]20 May 2025 21:26 +0000at://did:plc:fxel7pglrizplk3olkcdbzsp/app.bsky.feed.post/3lpmzmtmt7c2chttps://bsky.app/profile/ialibay.bsky.social/post/3lerka5usy225Absolutely delighted to have been included @openuk.bsky.social 's 2025 honours list. A big shout out to all the folks at @mdanalysis.bsky.social and @omsf.io for all their amazing work. #opensource #openscience [contains quote post or other embedded content]02 Jan 2025 16:56 +0000at://did:plc:fxel7pglrizplk3olkcdbzsp/app.bsky.feed.post/3lerka5usy225https://bsky.app/profile/ialibay.bsky.social/post/3lebm4j5qqs2zIncredibly excited to see this work from Meghan Osato get to the preprint stage! We knew that partial charge assignment with AM1BCC was unstable but we never would have guessed that it could cause such large issues with our free energy results! [contains quote post or other embedded content]27 Dec 2024 08:47 +0000at://did:plc:fxel7pglrizplk3olkcdbzsp/app.bsky.feed.post/3lebm4j5qqs2zhttps://bsky.app/profile/ialibay.bsky.social/post/3lcgiinmosc2oRelicensing MDAnalysis was a major effort of ours, spanning over 3 years and far far too much of my time spent reading up on the the legal details of licenses. Major thanks to @orbeckst.bsky.social for pushing the process (and my often slow to act self) along :) [contains quote post or other embedded content]03 Dec 2024 20:36 +0000at://did:plc:fxel7pglrizplk3olkcdbzsp/app.bsky.feed.post/3lcgiinmosc2o