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Chris Chipot - Enhanced sampling and free energy calculations in NAMD (Part I)
Frank Noe - Advancing molecular simulation with deep learning - IPAM at UCLA
Enhanced Diffusion Sampling
Breaking timescales with generative sampling of conformational transitions – Chenyu Tang
Diffusion Models on Sampling Rare Events | Chenru Duan
Particle Guidance: non-I.I.D. Diverse Sampling with Diffusion Models | Gabriele Corso
SIAN Lecture Series L-03 | Machine Learning Fine-Tuning of MACE for MD Simulations
25. Statistical Foundation for Molecular Dynamics Simulation
Machine Learning for Multi-Scale Molecular Simulation and Design | Xiang Fu
Lecture 06, concept 03_: Molecular dynamics as sampling is a more sound approach
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Last Updated: October 19, 2026
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Portal is the home of the AI for drug discovery community. Join for more details on this talk and to connect with the speakers: ... Valence Labs is a research engine within Recursion committed to advancing the frontier of AI in drug discovery. Learn more about ... From the Online Hands-on Workshop on Computational Biophysics organized by the NIH Resource for Macromolecular Recorded 23 January 2023. Frank Noe of Freie Universität Berlin presents "Advancing URL: nature.com/articles/s41586-026-11025-1 Please reach out to Chenyu Tang if interested in Gen-COMPAS: ... Valence Portal is the home of the AI for drug discovery community. Join here for more details on this talk and to connect with the ... In this lecture, Nayab Ul Malik shows how to fine-tune a machine-learning interatomic potential, the MACE MIT 2.57 Nano-to-Micro Transport Processes, Spring 2012 View the complete course: ocw.mit.edu/2-57S12 Instructor: Gang ... Lecture recording of Carnegie Mellon University's Spring 2026 Class: 10799
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