Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization | Tianfan Fu
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22 Sep 202248min
Bridging Computation and Experimentation with Evidential Deep Learning | Ava Amini
If you enjoyed this talk, consider joining the Molecular Modeling and Drug Discovery (M2D2) talks live. Also consider joining the M2D2 Slack Abstract: The success of machine learning (ML) in chemist...
16 Sep 20221h 1min
Machine Learning for Scientific Discovery | Yoshua Bengio
Abstract: Machine learning research is expanding its reach, beyond the traditional realm of the tech industry and into the activities of other scientists, opening the door to truly transformative adva...
11 Sep 202252min
Beyond Atoms and Bonds: Contextual Explainability via Molecular Graphical Depictions | Marco Bertolini
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14 Jul 202257min
Bayesian Modelling of Synergistic Drug Combination Effects in Cancer Using Gaussian Processes - Leiv Rønneberg
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7 Jul 202250min
Open Source Initiatives to Get You Started with AI in Drug Discovery
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30 Jun 20221h 2min
Integrating Structure-based and Ligand-based Modeling for Drug Design - Joseph M. Paggi
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25 Jun 202251min
Optimal Transport Modeling of Population Dynamics in Single-Cell Biology - Charlotte Bunne
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16 Jun 202245min
