MolSS Reading Group

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

Zoom link: us05web.zoom.us/j/7780256206?p…

Interested in scaling neural samplers? On the coming Tuesday, March 17th 4pm-5pm UK time, we will have Denis Blessing to talk about his recent work “Bridge Matching Sampler: Scalable Sampling via Generalized Fixed-Point Diffusion Matching” (arxiv.org/abs/2603.00530) More info👇

Papers: [1] arxiv.org/abs/2405.01155 [2] arxiv.org/abs/2507.11818 Zoom: us05web.zoom.us/j/7780256206?p… Do join our slack channel to keep updated: join.slack.com/t/molss/shared…

On the coming Tuesday (Feb 24th), 4pm-5pm UK time, we will have Miruna Cretu @MirunaCretu2 to talk about “Generative modelling for synthesizable small molecule design” 🔥 Links for papers and zoom👇

Join our online reading group today, 4pm, to know more about how to enhance diffusion-sampler with collective variables 🚀

Paper: arxiv.org/pdf/2510.11923 zoom: us05web.zoom.us/j/7780256206?p… Also join our slack to stay tuned: join.slack.com/t/molss/shared…

How to incorporate collective variables to enhance diffusion-based sampler? On the coming Tuesday (Feb 10th), 4pm-5pm UK time, we will have Juno Nam @junonam_ to talk about “Enhancing Diffusion-Based Sampling with Molecular Collective Variables” 🔥 links👇

Zoom: us05web.zoom.us/j/7780256206?p… Paper: arxiv.org/abs/2512.02636 Happy new year and do join us!

How to enable model density for few-step generative models? On this Tuesday (Jan 6th), 4pm-5pm UK time, we will have Xinyue Ai @Keely7ai and Kelly He @electronickale to talk about “Joint Distillation for Fast Likelihood Evaluation and Sampling in Flow-based Models” 🔥 links👇

Zoom link: us05web.zoom.us/j/7780256206?p… related papers: [1] arxiv.org/abs/2006.02425 [2] arxiv.org/abs/2306.15030 [3] arxiv.org/abs/2406.14426

How can ML assist sampling from equilibrium distributions? On the coming Tuesday (Nov 25th), 4pm-5pm UK time, we will have Leon Klein @leonklein26 to talk about “Efficient Generation of Molecular Boltzmann Distributions with Normalizing Flows” 🔥 Zoom link and more info 👇

Paper: arxiv.org/abs/2510.00983

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: us05web.zoom.us/j/7780256206?p… Links to papers below 👇

[1] arxiv.org/abs/2502.07337 [2] arxiv.org/abs/2505.17741

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: us05web.zoom.us/j/7780256206?p… Links to papers below 👇

The reading group will be starting <2.5 hours. Join us to learn more about training better energy-based diffusion models!

Paper: arxiv.org/abs/2506.17139

On the coming Tuesday (21st Oct), we will have Michael Plainer (plainer.dev) 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/j/7780256206?p…

Paper : arxiv.org/abs/2505.13375

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/j/7780256206?p…