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    Computational Chemistry

    376 курсов
    Molecular Dynamics
    Molecular Modeling
    Coarse-Graining Stochastic Dynamics
    Alan Turing Institute

    Coarse-Graining Stochastic Dynamics

    Understanding the Geopolitical Structure of the USA
    Alan Turing Institute

    Understanding the Geopolitical Structure of the USA

    Learning Models by Making Them Interact
    Alan Turing Institute

    Learning Models by Making Them Interact

    The Complexity of Fermions in Quantum Information and Beyond
    Simons Institute

    The Complexity of Fermions in Quantum Information and Beyond

    Electronic Structure Theory via Classical and Quantum Computation - IPAM at UCLA
    Institute for Pure & Applied Mathematics (IPAM)

    Electronic Structure Theory via Classical and Quantum Computation - IPAM at UCLA

    Binding Affinity Prediction with Machine Learning-Based Docking - Lab 2
    Valence Labs

    Binding Affinity Prediction with Machine Learning-Based Docking - Lab 2

    Exploring Molecular Space and Active Learning in Drug Discovery
    Valence Labs

    Exploring Molecular Space and Active Learning in Drug Discovery

    Lab 3 - De Novo Generation Explanation
    Valence Labs

    Lab 3 - De Novo Generation Explanation

    Learning ML Interatomic Potentials - Day 2
    Valence Labs

    Learning ML Interatomic Potentials - Day 2

    LLMs in Drug Discovery - Day 5
    Valence Labs

    LLMs in Drug Discovery - Day 5

    Harnessing Geometric ML for Molecular Design - Day 3
    Valence Labs

    Harnessing Geometric ML for Molecular Design - Day 3

    Generative Models of Molecular Structures - Day 3
    Valence Labs

    Generative Models of Molecular Structures - Day 3

    Machine Learning in Structure-Based Drug Discovery - Day 2
    Valence Labs

    Machine Learning in Structure-Based Drug Discovery - Day 2

    Polaris - Industry-Led Initiative to Critically Assess ML for Real-World Drug Discovery
    Valence Labs

    Polaris - Industry-Led Initiative to Critically Assess ML for Real-World Drug Discovery

    Leveraging Molecular ML and Property Prediction in Drug Design
    Valence Labs

    Leveraging Molecular ML and Property Prediction in Drug Design

    Flow Annealed Importance Sampling Bootstrap - Machine Learning for Complex Distributions
    Valence Labs

    Flow Annealed Importance Sampling Bootstrap - Machine Learning for Complex Distributions

    Artificial Chemical Intelligence: AI for Chemistry and Chemistry for AI
    Valence Labs

    Artificial Chemical Intelligence: AI for Chemistry and Chemistry for AI

    Crippen's logP as a Quantitative Molecular Benchmark for Explainable AI Heatmaps
    Valence Labs

    Crippen's logP as a Quantitative Molecular Benchmark for Explainable AI Heatmaps

    MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
    Valence Labs

    MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

    Introducing Bioptic - Machine Learning for Drug Discovery
    Valence Labs

    Introducing Bioptic - Machine Learning for Drug Discovery

    Molecular Machine Learning Conference 2023 - Opening Remarks
    Valence Labs

    Molecular Machine Learning Conference 2023 - Opening Remarks