Molecular Modelling and Drug Discovery

Molecular Modelling and Drug Discovery

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.

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Episoder(60)

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

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

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplifie...

20 Jun 20231h

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

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

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠⁠⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠⁠⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplif...

13 Jun 20231h 9min

Multimodal Deep Learning for Protein Engineering | Kevin K. Yang

Multimodal Deep Learning for Protein Engineering | Kevin K. Yang

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplifie...

7 Jun 20231h 2min

Systematic Analysis of Biomolecular Conformational Ensembles with PENSA | Martin Vögele

Systematic Analysis of Biomolecular Conformational Ensembles with PENSA | Martin Vögele

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplifies ...

30 Mai 202350min

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

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

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplifies mo...

16 Mai 20231h 3min

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

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

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplifies mole...

9 Mai 202331min

Machine Learning Molecules | Gianni De Fabritiis

Machine Learning Molecules | Gianni De Fabritiis

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplifies mole...

25 Apr 202357min

Protein Representation Learning by Geometric Structure Pretraining | Zuobai Zhang

Protein Representation Learning by Geometric Structure Pretraining | Zuobai Zhang

[DISCLAIMER] - For the full visual experience, we recommend you tune in through our ⁠⁠⁠⁠YouTube channel ⁠⁠⁠⁠to see the presented slides. Try datamol.io - the open source toolkit that simplifies molecu...

19 Apr 202353min

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