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11.11.2025: Equivariant Models, Multimodal Learning, and Generative Approaches for Molecular and Protein Science
This podcast is brought to you by the Oliver Laboratory at Vanderbilt University.
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0:00 TEMPO: Temporal Multi-scale Autoregressive Generation of Protein Conformational Ensembles (https://arxiv.org/pdf/2511.05510.pdf)
4:48 Molecular Dynamics Simulations of Membrane Selectivity of Star Peptides Across Different Bacterial and Mammalian Bilipids (https://arxiv.org/pdf/2511.05513.pdf)
8:55 GastroDL-Fusion: A Dual-Modal Deep Learning Framework Integrating Protein-Ligand Complexes and Gene Sequences for Gastrointestinal Disease Drug Discovery (https://arxiv.org/pdf/2511.05726.pdf)
13:00 Breaking the Modality Barrier: Generative Modeling for Accurate Molecule Retrieval from Mass Spectra (https://arxiv.org/pdf/2511.06259.pdf)
17:04 Peeling Context from Cause for Multimodal Molecular Property Prediction (https://arxiv.org/pdf/2511.06692.pdf)
22:12 Theory of Semi-discontinuous DNA Replication (https://arxiv.org/pdf/2511.06904.pdf)
26:36 S$^2$Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening (https://arxiv.org/pdf/2511.07006.pdf)
30:52 A critical assessment of the role of topology on protein thermal stability (https://arxiv.org/pdf/2511.07024.pdf)
35:12 Direct Molecular Polarizability Prediction with SO(3) Equivariant Local Frame GNNs (https://arxiv.org/pdf/2511.07087.pdf)
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Source code: https://github.com/OliverLaboratory/arxivreader
Contact: oliverlaboratory.com
Source code: https://github.com/OliverLaboratory/arxivreader
View all episodes
By This podcast is brought to you by the Oliver Laboratory at Vanderbilt University.
----------------------------------------
0:00 TEMPO: Temporal Multi-scale Autoregressive Generation of Protein Conformational Ensembles (https://arxiv.org/pdf/2511.05510.pdf)
4:48 Molecular Dynamics Simulations of Membrane Selectivity of Star Peptides Across Different Bacterial and Mammalian Bilipids (https://arxiv.org/pdf/2511.05513.pdf)
8:55 GastroDL-Fusion: A Dual-Modal Deep Learning Framework Integrating Protein-Ligand Complexes and Gene Sequences for Gastrointestinal Disease Drug Discovery (https://arxiv.org/pdf/2511.05726.pdf)
13:00 Breaking the Modality Barrier: Generative Modeling for Accurate Molecule Retrieval from Mass Spectra (https://arxiv.org/pdf/2511.06259.pdf)
17:04 Peeling Context from Cause for Multimodal Molecular Property Prediction (https://arxiv.org/pdf/2511.06692.pdf)
22:12 Theory of Semi-discontinuous DNA Replication (https://arxiv.org/pdf/2511.06904.pdf)
26:36 S$^2$Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening (https://arxiv.org/pdf/2511.07006.pdf)
30:52 A critical assessment of the role of topology on protein thermal stability (https://arxiv.org/pdf/2511.07024.pdf)
35:12 Direct Molecular Polarizability Prediction with SO(3) Equivariant Local Frame GNNs (https://arxiv.org/pdf/2511.07087.pdf)
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Source code: https://github.com/OliverLaboratory/arxivreader
Contact: oliverlaboratory.com
Source code: https://github.com/OliverLaboratory/arxivreader