MolSS Reading Group
@MolSS_Group
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MolSS is a biweekly reading group focusing on probabilistic machine learning for a wide range of applications related to molecules.
Joined April 2025
We’re thrilled to announce the launch of the MolSS Reading Group! 🚀 🔬 MolSS = Machine Learning for Molecular Simulations and Sampling 🔥 First session: June 3rd, 3 PM (UK time) by @jmhernandez233 🗓️ Regular sessions: Every other Tuesday at 4 PM (UK time), 45–60 minutes
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Curious on training one-step generative model in manifolds? On the coming Tuesday (18th Nov), we will have Chaoran Cheng @ccr_cheng to talk about ”Riemannian Consistency Model” from 5pm to 6pm (UK time) 🔥 Join us via zoom: https://t.co/RpXvRiJO6I… Links to papers below 👇
us05web.zoom.us
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On the coming Tuesday (4th Nov), we will have Zijing Ou @JzinOu to talk about ”Neural Flow Samplers” for sampling in either continuous spaces or discrete spaces, from 4pm to 5pm (UK time) 🔥 Join us via zoom: https://t.co/N1C3UFuSmL Links to papers below 👇
us05web.zoom.us
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The reading group will be starting <2.5 hours. Join us to learn more about training better energy-based diffusion models!
On the coming Tuesday (21st Oct), we will have Michael Plainer ( https://t.co/CDB5ugby0A) to talk about “Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models” from 4pm to 5pm (UK time) 🔥 Join us via zoom:
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On the coming Tuesday (21st Oct), we will have Michael Plainer ( https://t.co/CDB5ugby0A) to talk about “Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models” from 4pm to 5pm (UK time) 🔥 Join us via zoom:
us05web.zoom.us
Zoom is the leader in modern enterprise cloud communications.
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MolSS is coming back after ICLR submission 🚀 On the coming Tuesday (7th Oct), we will have Christopher Kolloff @chrisdkolloff and Tobias Höppe @TobiasHppe1 to talk about “Minimium Excess Work” from 4pm to 5pm (UK time) 🔥 Join us via zoom:
us05web.zoom.us
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On the coming Tuesday (Sep 9th), we will have Austin Cheng @auhcheng from the University of Toronto to talk about “Scalable Autoregressive 3D Molecule Generation” ( https://t.co/qdgYJ8wdkB) from 4pm to 5pm (UK time) 🔥 Join us via zoom:
arxiv.org
Generative models of 3D molecular structure play a rapidly growing role in the design and simulation of molecules. Diffusion models currently dominate the space of 3D molecule generation, while...
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This talk will base on the following two papers: [1] https://t.co/Doqt3HlZzb 🚀 [2] https://t.co/uBHwWFiLrc 🔥
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On the coming Tuesday (Aug 26th), we will have @YuchenZhu_ZYC talking about “Beyond Euclidean data: Lie group and multimodal diffusion models"🚀, from 5pm to 6pm (UK time). Join us via zoom: https://t.co/N1C3UFukxd See more information below 👇
us05web.zoom.us
Zoom is the leader in modern enterprise cloud communications.
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On the coming Tuesday (Aug 19th), we will have Maximilian Stupp talking about “Energy-Based Coarse-Graining in Molecular Dynamics: A Flow-Based Framework Without Data" ( https://t.co/O6vHcfSE4R) 🚀, from 4pm to 5pm (UK time). Join us via zoom:
arxiv.org
Coarse-grained (CG) models provide an effective route to reducing the complexity of molecular simulations (MD), but conventional approaches depend heavily on long all-atom MD trajectories to...
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Join us tomorrow afternoon at 4pm (UK time) if you are interested in scalable and simulation-free method for neural SDE training 🔥
On the coming Tuesday (July 1st), we will have @GrigoryBartosh talking about “SDE Matching: Scalable and Simulation-Free Training of Latent Stochastic Differential Equations" ( https://t.co/EYPXbrvHoX) 🚀, from 4pm to 5pm (UK time). Join us via Zoom 🔥 https://t.co/N1C3UFukxd
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On the coming Tuesday (July 1st), we will have @GrigoryBartosh talking about “SDE Matching: Scalable and Simulation-Free Training of Latent Stochastic Differential Equations" ( https://t.co/EYPXbrvHoX) 🚀, from 4pm to 5pm (UK time). Join us via Zoom 🔥 https://t.co/N1C3UFukxd
us05web.zoom.us
Zoom is the leader in modern enterprise cloud communications.
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On the coming Tuesday, we will have Professor Gábor Csányi FRS talking about foundation models in Machine Learning Force Field, from 5pm to 6pm (UK time) 🚀. Abstract could be found in our slack: https://t.co/reyI90fWbe Join us via zoom:
us05web.zoom.us
Zoom is the leader in modern enterprise cloud communications.
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Our first session will be on next Tuesday (Jan 3rd) from 3pm to 4pm (UK time) 🚀 This session will be given by @jmhernandez233 , talking about free energy estimation 🔥 Abstract could be found in our slack: https://t.co/reyI90folG Join us via zoom : https://t.co/N1C3UFukxd
us05web.zoom.us
Zoom is the leader in modern enterprise cloud communications.
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We noticed that the Slack link was not working previously. Please use this one to join:
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Huge thanks to the organisers: @TonyRKOuYang @WillLin1028 @JiajunHe614 @RokasElijošius @KrisztinaShinkovych And special thanks to @jmhernandez233 and @GenAIHub [ https://t.co/K4t8XhKDES] for the support! Follow us and join the community! 🧠🔬
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📚 Biweekly talks/tutorials/work-sharing by researchers 🧭 Exploring the frontier of ML + Molecular Sciences 📍 Full details: https://t.co/BozjOlmAHU 💬 Join our Slack for updates:
molss-reading-group.github.io
Welcome to the Machine Learning for Simulations Reading Group, hosted by the University of Cambridge Computational Biology Laboratory. We are an international academic community dedicated to the...
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