De Novo Molecular Structure Elucidation from Mass Spectra via Flow Matching 1 MSFlow achieves a remarkable 45% accuracy in translating mass spectra to molecular structures, representing up to a 14-fold improvement over existing state-of-the-art methods. 2 The two-stage architecture combines a formula-restricted transformer encoder with a discrete flow matching decoder, enabling efficient non-autoregressive generation of molecular structures. 3 Unlike diffusion-based approaches that rely on lossy binary fingerprints, MSFlow uses continuous molecular descriptors (CDDD) that preserve substantially more chemical information during spectrum encoding. 4 The flow matching decoder leverages bidirectional attention and adaptive layer normalization conditioned on spectrum embeddings, allowing parallel token generation rather than slow autoregressive sampling. 5 On the challenging out-of-distribution MassSpecGym benchmark, MSFlow reaches 32% top-1 accuracy compared to just 2.3% for the previous best method, demonstrating strong generalization to novel chemical structures. 6 Oracle experiments with ground-truth descriptors reveal 86.55% accuracy is achievable, indicating the spectrum-to-embedding encoding stage remains the primary bottleneck for further improvement. 7 The model maintains robust performance across molecular sizes and flexibilities, successfully handling both rigid and highly flexible molecules with up to 60 atoms. 8 Functional group prediction achieves 85.4% F1-score, showing the model accurately captures key chemical motifs without hallucinating non-existent groups. 💻Code: github.com/ghaith-mq/MSFlow 📜Paper: arxiv.org/abs/2602.19912 #MassSpectrometry #Metabolomics #DeNovoGeneration #FlowMatching #Cheminformatics #MachineLearning #ComputationalChemistry #MolecularStructure #AIforScience

●》SMK Invitacional MK1 ●》Martes 29 / 10 ○ 21hs ●》Twitch.tv/smktonyfader Invitados CHR | MSFLOW CG | CARVA_MK AMT | SMOKE007787 KW | UMGADIMIND SMK | SALDANHA JK | SNAKEDOE AMT | ELCONE222 SMK | TF LOBUNO RGK | L3Y3ND45 SMK | JAVOKHEAVY BW | MATIAS700 KW | COBRA Y Mas.

Have you explored the Power Automate Approval Kit? This video covers step by step guide to installing the creator kit! Part 2 is out exclusively youtu.be/92yuFVAX-UE #PowerAutomate #MicrosoftFlow #MSFlow #Approvals #ApprovalKit #PowerCATTeam

New video > Use triggerOutputs() for smart MS Flow design, debug, and support youtu.be/ggg8pVnPgDo #PowerAutomate #MSFlow

旧MSFlowのデスクトップ版のやつ、クセつよだけどpythonでコード書かなくてもチョロっとカチカチすればWebのスクレイピングがちょろりんなのは楽チンではあるけど、処理複雑になるとウルトラ読みにくいしたぶんpythonとか言語の方が保守しやすいんだろうなー

今日もPython学習しましょう！ #paizaラーニング #今日の積み上げ #プログラミング PickUp! Consuming REST API using HTTP connector of #PowerAutomate Flow from Power Virtual Agents bit.ly/3iocIdK #restAPI #MSFlow #Dynamics365 #PowerApps tweeted by diogomiguel_9

今日もPython学習しましょう！ #paizaラーニング #今日の積み上げ #プログラミング PickUp! Consuming REST API using HTTP connector of #PowerAutomate Flow from Power Virtual Agents bit.ly/3iocIdK #restAPI #MSFlow #Dynamics365 #PowerApps tweeted by diogomiguel_9

今日もPython学習しましょう！ #paizaラーニング #今日の積み上げ #プログラミング PickUp! New Format Pane for Power BI Mobile View #PowerAutomate #MSFlow #Microsoft #PowerPlatform youtu.be/i9WF5sC6HjU tweeted by diogomiguel_9

今日もPython学習しましょう！ #paizaラーニング #今日の積み上げ #プログラミング PickUp! How to trigger flows with #PowerAutomate Button bit.ly/3tY13F3 #MSFlow #PowerPlatform #Dataverse tweeted by inogic

今日もPython学習しましょう！ #paizaラーニング #今日の積み上げ #プログラミング PickUp! How to trigger flows with #PowerAutomate Button bit.ly/3tY13F3 #MSFlow #PowerPlatform #Dataverse tweeted by diogomiguel_9

How do I get a bearer token for the #PowerAutomate service? I created an application user in #Azure. Now I need to grab the bearer token in a #MSFlow.

Avoid buffer size error for List Rows using #PowerAutomate Flows bit.ly/3VmwYL2 #PowerPlatform #MSFlow #Dynamics365 #MSDynCRM

Seriously FlowStudio.app is one of the best tools for fixing dumb flows that break connections. I love this app and if John Lui has a twitter please need to connect #msflow #PowerAutomate It allows me to do things I shouldn't do and I love it

Consuming REST API using HTTP connector of #PowerAutomate Flow from Power Virtual Agents bit.ly/3Rje2eE #restAPI #MSFlow #Dynamics365 #PowerApps #PVA #PowerPlatform

How to: track the #timestamp of your power automate flow last successful run @ashlega bit.ly/3TgyVbx #PowerAutomate #PowerPlatform #MSFlow

Check out this Thursday's video: #MSFlow CAT2 - Automate 5 Filter Tips for Trigger & Query In this video I'll show 5 tips to assist you in creating Trigger Conditions and Filter Queries. Our data source will be a SharePoint list. youtu.be/-sO9cdnEGeA

Debug Compose actions and Conditions in Power Automate @PieterVeenstra bit.ly/3pnn4uK #PowerAutomate #PowerPlatform #MSFlow

Check out this Thursday's video: #SharePoint & #MSFlow CAT2 - SharePoint List Archive With Append Comments: how to handle archiving list item to another list when multi line text column append is on using Automate. youtu.be/bdqpj4kWodo Special shout out to @dchristian19

Consuming REST API using HTTP connector of #PowerAutomate Flow from Power Virtual Agents bit.ly/3d2oXKz #restAPI #MSFlow #Dynamics365 #PowerApps #PVA

Check out this Thursday's video: #PowerApps, #SharePoint & #MSFlow CAT2 - Power App Duplicate Item With Automate. In this video I'll show how to handle duplicating an item in your Power App using a button and Automate combination. youtu.be/aNjw8zkc2gE