Molecular Modelling and Drug Discovery

Valence Discovery•60 avsnitt•1 tim•Veckovis: Tisdag

Welcome to this space dedicated to the M2D2 Talks co-organized by Valence Discovery and Mila - Quebec AI Institute. From applied research papers to open source projects, we're hoping to use these talks to help demystify AI for drug discovery and make the field more accessible for newcomers. M2D2 will bring our vibrant AI & drug discovery communities together and spark new perspectives, provoke discussions, and offer a safe space to share new ideas. For the best experience, please visit our YouTube channel where slides and video presentations can be referenced.

Structure-Independent Peptide Binder Design via Generative Language Models | Pranam Chatterjee

20 juni 2023•1 tim 1 min

Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics | Albert Musaelian

13 juni 2023•1 tim 9 min

Multimodal Deep Learning for Protein Engineering | Kevin K. Yang

7 juni 2023•1 tim 3 min

Systematic Analysis of Biomolecular Conformational Ensembles with PENSA | Martin Vögele

30 maj 2023•51 min

Training Neural Network Potentials: Bayesian and Simulation-based Approaches | Stephan Thaler

16 maj 2023•1 tim 4 min

Accelerating Cryptic Pocket Discovery Using Alphafold and Markov State Modelling | Soumendranath Bhakat

9 maj 2023•32 min

Machine Learning Molecules | Gianni De Fabritiis

25 apr. 2023•57 min

Protein Representation Learning by Geometric Structure Pretraining | Zuobai Zhang

19 apr. 2023•53 min

There’s no free lunch, but you can get a discount – applying active learning in drug discovery | Pat Walters & James Thompson

12 apr. 2023•53 min

Cell Morphology-Guided De Novo Hit Design by Conditioning GANs on Phenotypic Image Features | Paula A. Marin Zapata

6 apr. 2023•49 min

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