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.
👤 Joined on 16 November 2024
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- 16 Kas 2024, 14:05
🎉 Bluesky'e katıldı - İlk kullanıcı adı:
@westpasoftware.bsky.social
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Thanks! I had a great time working on WESTPA and MD analysis as part of GSoC
Show PostI'm excited to be working with @mdanalysis.bsky.social and westpa.github.io/westpa/ as part of Google Summer of Code 2025. I aim to integrate MDAnalysis streaming with weighted ensemble simulations, enabling on-the-fly analysis of WE simulations. To find out more, follow my blog: jpkrowe.github.io
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If you do MD and haven't looked at WESTPA @pittchemistry.bsky.social - you should #compchem Of course I'm biased because Lillian and her group are doing great science
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@ltchong.bsky.social develops methods to simulate rare but important biological events — leading the team behind @westpasoftware.bsky.social, an #OSS for weighted ensemble (WE) path sampling. Her talk will explore how #WE methods and #ML can uncover hidden protein states and rare transitions.
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