Molecule Representation Learning and Discovery: A Perspective from Topology, Geometry, and Textual Description | Shengchao Liu
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
17 Feb 202354min
Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations | Xiang Fu
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
8 Feb 20231h
Artificial Chemical Intelligence: AI for Chemistry and Chemistry for AI | Pratyush Tiwary
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
2 Feb 20231h 1min
ProtMD: Incorporating Conformation Flexibility for Drug Binding via Pretraining on Molecular Dynamics Simulations | Fang Wu
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
26 Jan 202343min
Converging Advances to Accelerate Molecular Simulation | Max Welling
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
20 Dec 20221h 14min
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking | Hannes Stärk, Gabriele Corso, and Bowen Jing
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
15 Dec 202256min
Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design | Ilia Igashov
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
29 Nov 20221h 5min
Towards Good Validation Metrics for Generative Models in Offline Model-Based Optimisation
[DISCLAIMER] - For the full visual experience, we recommend you tune in through our YouTube channel to see the presented slides. If you enjoyed this talk, consider joining the Molecular Modeling and D...
24 Nov 202252min
