https://bsky.app/profile/openfree.energyhttps://bsky.app/profile/openfree.energy/post/3mq2n3li2ps2mIf you're at #CCPBioSim2026, look for @ialibay.bsky.social and Joshua Horton!07 Jul 2026 12:45 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3mq2n3li2ps2mhttps://bsky.app/profile/openfree.energy/post/3mmf7o7c7j22nThis study has been two years in the making and the results have already been widely discussed and compared against, but the paper is finally out in JCIM today! https://pubs.acs.org/doi/10.1021/acs.jcim.6c0008921 May 2026 20:03 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3mmf7o7c7j22nhttps://bsky.app/profile/openfree.energy/post/3mkqf4mukbk2sopenfe now supports simulations of membrane proteins! https://openfree.energy/science/update/2026/04/28/release-v1.11/30 Apr 2026 19:50 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3mkqf4mukbk2shttps://bsky.app/profile/openfree.energy/post/3mieosbqmoc2wSee you in Bristol this summer! Our Science Lead @ialibay.bsky.social will be at the CCPBioSim Biomolecular Simulation Conference, July 6-8th, to talk about OpenFE. https://shop.bris.ac.uk/conferences-and-events/school-of-chemistry/conferences/12th-annual-ccpbiosim-annual-conference-frontiers-in-biomolecular-simulations31 Mar 2026 17:20 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3mieosbqmoc2whttps://bsky.app/profile/openfree.energy/post/3mgpxcma3zk2mModern molecular modeling needs a new mode of software development. Consortia like Open Free Energy build shared tools and release code under open licenses. @omsf.io aligns incentives across stakeholders, enabling an ecosystems that elevates the entire community. https://pubs.acs.org/doi/10.1021/acs.jcim.5c0313710 Mar 2026 18:02 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3mgpxcma3zk2mhttps://bsky.app/profile/openfree.energy/post/3mf2ssidpbk24Check out the recent webinar that our own Alyssa Travitz gave to @sbgrid.bsky.social, introducing our software! youtu.be/nCvg13F9Pco https://youtu.be/nCvg13F9Pco?si=6EazeiUmU_ns6nrw17 Feb 2026 14:50 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3mf2ssidpbk24https://bsky.app/profile/openfree.energy/post/3mabuyxzylc27OpenFE is ready for production! https://chemrxiv.org/engage/chemrxiv/article-details/6936e3bda10c9f5ca1e61f71 In collaboration with our industry partners, we ran benchmarking simulations of our hybrid-topology RBFE protocol on a large collection of both public and private protein-ligand binding datasets. #compchem18 Dec 2025 19:12 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3mabuyxzylc27https://bsky.app/profile/openfree.energy/post/3m5eff4qhas2gOur command line interface (CLI) is designed to provide easy access to our tested, production-ready workflow. But if you are developing new methods or pioneering workflows, you may need the power and flexibility of our application programming interface (API) in #Python. #compchem11 Nov 2025 14:55 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3m5eff4qhas2ghttps://bsky.app/profile/openfree.energy/post/3m3xf3ttjjk2pWe've just released openfe v1.7, which includes includes new protocols for Separated Topologies and Absolute Binding Free Energies, as well as up to 2x faster simulations using the default settings. https://openfree.energy/science/update/2025/10/23/release-v1.7/24 Oct 2025 17:20 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3m3xf3ttjjk2phttps://bsky.app/profile/openfree.energy/post/3m36bmkqn3c23We tested Sage 2.3.0rc2 from @openforcefield.org in RBFE benchmarks and found it improves accuracy on some of our benchmark systems like p38. Can't wait to see the GNN charge model become default!14 Oct 2025 17:41 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3m36bmkqn3c23https://bsky.app/profile/openfree.energy/post/3lykysratkc2z OpenFE is being used to predict affinity of molecular glues! Check out the new preprint from the team at Ternary Therapeutics: https://chemrxiv.org/engage/chemrxiv/article-details/68bad5e3728bf9025e96174211 Sep 2025 14:52 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3lykysratkc2zhttps://bsky.app/profile/openfree.energy/post/3lxfr2wjpm22oDid you know you can use custom force field parameters in OpenFE? Try out this cookbook to learn more! https://docs.openfree.energy/en/latest/cookbook/bespoke_parameters.html #compchem27 Aug 2025 19:25 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3lxfr2wjpm22ohttps://bsky.app/profile/openfree.energy/post/3lrsufrg4v22oAlchemical free energy simulations will remain a crucial step in teh drug design process for their accuracy and reliability, especially in binding pockets that rearrange to accommodate different ligands. https://www.deepmirror.ai/post/boltz-2-real-drug-targets #opensource #compchem #boltz217 Jun 2025 15:59 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3lrsufrg4v22ohttps://bsky.app/profile/openfree.energy/post/3lrhafche4c2bIt's exciting to see our software used as a benchmark for cutting-edge AI methods! [contains quote post or other embedded content]13 Jun 2025 01:01 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3lrhafche4c2bhttps://bsky.app/profile/openfree.energy/post/3lp7oer7xk22lIf you weren't at @feworkshop.bsky.social in Boston last week, you missed Hannah Baumann giving the first sneak peek at results from our partner benchmarking study! Fortunately for you, Josh Horton wrote up a blog post about the early results: https://blog.omsf.io/the-free-energy-of-everything-benchmarking-openfe/ #compChem15 May 2025 14:00 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3lp7oer7xk22lhttps://bsky.app/profile/openfree.energy/post/3lnymwawxv225The Ecosystem Infrastructure team at @omsf.io (@ethanholz.com and David Swenson) built a tool for running github actions on self-hosted runners. Not the first such tool anyone's ever built, but designed to meet the particular needs of our community, and they delivered! https://blog.omsf.io/introducing-omsf-self-hosted-runners/30 Apr 2025 01:20 +0000at://did:plc:g5btxjsa7gg7ehqlwqo7f4c3/app.bsky.feed.post/3lnymwawxv225