MolSS Reading Group

Reading group focusing on probabilistic machine learning and molecular applications. Led by @TonyRKOuYang, @JiajunHe614, and @WillLin1028

[MolSS Reading Group @MolSS_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

[MolSS Reading Group @MolSS_Group]

@michaelplainer This talk will be co-presented by @RipkenWinfried and @gregorlied as well!

[MolSS Reading Group @MolSS_Group]

How to accelerate Molecular Dynamics with few-steps generative models?

On the coming Tuesday, May 12th 4pm-5pm UK time, we will have @michaelplainer to talk about "Learning Hamiltonian Flow Maps". 🚀

Join us via zoom: https://t.co/N1C3UFukxd

Paper link 👇

[MolSS Reading Group @MolSS_Group]

Paper: https://t.co/NIsuxtjiJG

[MolSS Reading Group @MolSS_Group]

How to use Diffusion models for rare event sampling and free energy calculation?

In the coming Tuesday (April 7th), from 4pm-5pm UK time, we will have @YuuuXie from Microsoft Research to talk about “Enhanced Diffusion Sampling” (https://t.co/Wb4HaEHkBA) 🚀

Zoom ➕ more info 👇

[MolSS Reading Group @MolSS_Group]

Zoom link: https://t.co/N1C3UFukxd

[MolSS Reading Group @MolSS_Group]

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” (https://t.co/HCxdauJOt7)

More info👇

[MolSS Reading Group @MolSS_Group]

Papers:
[1] https://t.co/0t3ITO739G
[2] https://t.co/rvgHdfxEAi

Zoom: https://t.co/N1C3UFuSmL

Do join our slack channel to keep updated: https://t.co/reyI90fWbe

[MolSS Reading Group @MolSS_Group]

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👇

[MolSS Reading Group @MolSS_Group]

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

[MolSS Reading Group @MolSS_Group]

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👇

[MolSS Reading Group @MolSS_Group]

Paper: https://t.co/15MPyESPdY
zoom: https://t.co/N1C3UFukxd

Also join our slack to stay tuned: https://t.co/reyI90folG

[MolSS Reading Group @MolSS_Group]

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��

[MolSS Reading Group @MolSS_Group]

Zoom: https://t.co/N1C3UFukxd

Paper: https://t.co/V3RVCRRNWZ

Happy new year and do join us!

[MolSS Reading Group @MolSS_Group]

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👇

[MolSS Reading Group @MolSS_Group]

Zoom link:
https://t.co/N1C3UFuSmL

related papers:
[1] https://t.co/q0D6bSQDTY
[2] https://t.co/y3vbn0WkRq
[3] https://t.co/WLuaHGebfp

[MolSS Reading Group @MolSS_Group]

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 👇

[MolSS Reading Group @MolSS_Group]

Paper: https://t.co/hhw1xQY4Bg

[MolSS Reading Group @MolSS_Group]

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 👇

[MolSS Reading Group @MolSS_Group]

[1] https://t.co/zITLkcasQc
[2] https://t.co/3CVWejiYWw

[MolSS Reading Group @MolSS_Group]

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 👇

[MolSS Reading Group @MolSS_Group]

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

[MolSS Reading Group @MolSS_Group]

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: https://t.co/N1C3UFukxd